(2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane

C94H135N19O7 — CID 158414976

IUPAC(2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane
SMILESC.CCC1CNc2nc3ccc4c(c3n2C1)CC(CC)O4.CCC1COc2ccc3nc4n(c3c2C1)CC(CC)CN4.CCCCn1c(N)nc2ccc(OCCN(C)C)cc21.CCCCn1c(N)nc2ccc3c(c21)CC(CC)CO3.CCCCn1c(N)nc2ccc3c(c21)CC(CC)O3.CCCCn1c(N)nc2ccc3c(c21)CC(CO)O3
InChIInChI=1S/C17H23N3O.C16H21N3O.C16H23N3O.C15H24N4O.C15H21N3O.C14H19N3O2.CH4/c1-3-11-7-13-15(21-10-11)6-5-14-16(13)20-9-12(4-2)8-18-17(20)19-14;1-3-10-8-17-16-18-13-5-6-14-12(7-11(4-2)20-14)15(13)19(16)9-10;1-3-5-8-19-15-12-9-11(4-2)10-20-14(12)7-6-13(15)18-16(19)17;1-4-5-8-19-14-11-12(20-10-9-18(2)3)6-7-13(14)17-15(19)16;1-3-5-8-18-14-11-9-10(4-2)19-13(11)7-6-12(14)17-15(18)16;1-2-3-6-17-13-10-7-9(8-18)19-12(10)5-4-11(13)16-14(17)15;/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,19);5-6,10-11H,3-4,7-9H2,1-2H3,(H,17,18);6-7,11H,3-5,8-10H2,1-2H3,(H2,17,18);6-7,11H,4-5,8-10H2,1-3H3,(H2,16,17);6-7,10H,3-5,8-9H2,1-2H3,(H2,16,17);4-5,9,18H,2-3,6-8H2,1H3,(H2,15,16);1H4
InChIKeyGZTWBRMFSHRKJN-UHFFFAOYSA-N
MW1643.24 g/mol
LogP17.87
Rot. Bonds23

About (2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane

(2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane (PubChem CID 158414976) has the molecular formula C94H135N19O7 and a molecular weight of 1643.24 g/mol. Its IUPAC name is (2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane.

Molecular Properties

Compound Name(2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane
PubChem CID158414976
Molecular FormulaC94H135N19O7
Molecular Weight1643.24 g/mol
Exact Mass1642.08
IUPAC Name(2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane
SMILESC.CCC1CNc2nc3ccc4c(c3n2C1)CC(CC)O4.CCC1COc2ccc3nc4n(c3c2C1)CC(CC)CN4.CCCCn1c(N)nc2ccc(OCCN(C)C)cc21.CCCCn1c(N)nc2ccc3c(c21)CC(CC)CO3.CCCCn1c(N)nc2ccc3c(c21)CC(CC)O3.CCCCn1c(N)nc2ccc3c(c21)CC(CO)O3
InChIInChI=1S/C17H23N3O.C16H21N3O.C16H23N3O.C15H24N4O.C15H21N3O.C14H19N3O2.CH4/c1-3-11-7-13-15(21-10-11)6-5-14-16(13)20-9-12(4-2)8-18-17(20)19-14;1-3-10-8-17-16-18-13-5-6-14-12(7-11(4-2)20-14)15(13)19(16)9-10;1-3-5-8-19-15-12-9-11(4-2)10-20-14(12)7-6-13(15)18-16(19)17;1-4-5-8-19-14-11-12(20-10-9-18(2)3)6-7-13(14)17-15(19)16;1-3-5-8-18-14-11-9-10(4-2)19-13(11)7-6-12(14)17-15(18)16;1-2-3-6-17-13-10-7-9(8-18)19-12(10)5-4-11(13)16-14(17)15;/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,19);5-6,10-11H,3-4,7-9H2,1-2H3,(H,17,18);6-7,11H,3-5,8-10H2,1-2H3,(H2,17,18);6-7,11H,4-5,8-10H2,1-3H3,(H2,16,17);6-7,10H,3-5,8-9H2,1-2H3,(H2,16,17);4-5,9,18H,2-3,6-8H2,1H3,(H2,15,16);1H4
InChIKeyGZTWBRMFSHRKJN-UHFFFAOYSA-N
XLogP17.87
TPSA313.91 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001643.24
LogP ≤ 517.87
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze (2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane with MolForge

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Related Compounds

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CID 167318541
US11834453, Example 194
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US11834453, Example 197
CID 167318830
4-(6-Aminopurin-9-yl)-2-[[2-[2-[[9-[2-[2-[(6-aminopurin-9-yl)methoxy]ethylamino]ethyl]-8-[[9-[2-[2-[(6-aminopurin-9-yl)methoxy]ethylamino]ethyl]-7-(trifluoromethyl)carbazol-3-yl]methyl]carbazol-3-yl]methoxy]-7-methylcarbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 139448107
3,3-difluoro-1-methylpiperidin-4-ol;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]quinazolin-4-amine;5-fluoro-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]quinazolin-4-amine
CID 158335641
1-[[2-[5-(2-Methoxyethoxy)benzimidazol-1-yl]quinolin-8-yl]-piperidin-4-ylmethyl]pyrrolidin-3-ol
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1-[1-(1,3-Benzodioxol-4-ylmethyl)piperidin-4-yl]-2-[4-[2-[[4-(2-pyrrolidin-3-ylbenzimidazol-1-yl)piperidin-1-yl]methyl]-2,3-dihydro-1,4-benzodioxin-3-yl]pyrrolidin-3-yl]benzimidazole
CID 123310947
[14-[(Dimethylamino)methyl]-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraen-4-yl]methanol
CID 136103713
1-[4-[2-[4-Amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol
CID 146387108
2-(Ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-9-[5-[[2-(ethoxymethyl)-1-methyl-9-piperidin-4-yloxyimidazo[4,5-c]quinolin-4-yl]amino]pyrrolidin-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-yl]amino]oxolan-3-yl]oxy-1-methylimidazo[4,5-c]quinolin-4-amine
CID 146387159
3-[[2-[2-[4-[4,7-bis[6-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]butyl]-7-[6-[3-(dimethylamino)propoxy]-1H-benzimidazol-2-yl]-3H-benzimidazol-4-yl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylpropan-1-amine
CID 147090903
6-[2-[[4,15-Bis[(dimethylamino)methyl]-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraen-8-yl]methyl-methylamino]ethoxy]-4-[2-[[3-[[3-[(dimethylamino)methyl]-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-7-yl]oxy]propyl-methylamino]methyl]-4-pyridinyl]-1-[3-(dimethylamino)propyl]benzimidazol-2-amine
CID 156186505

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane?
The IUPAC name of (2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane (CID 158414976) is (2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane.
What is the SMILES notation for (2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane?
The canonical SMILES for (2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane is C.CCC1CNc2nc3ccc4c(c3n2C1)CC(CC)O4.CCC1COc2ccc3nc4n(c3c2C1)CC(CC)CN4.CCCCn1c(N)nc2ccc(OCCN(C)C)cc21.CCCCn1c(N)nc2ccc3c(c21)CC(CC)CO3.CCCCn1c(N)nc2ccc3c(c21)CC(CC)O3.CCCCn1c(N)nc2ccc3c(c21)CC(CO)O3.
What is the InChIKey of (2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane?
The InChIKey is GZTWBRMFSHRKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C16H21N3O.C16H23N3O.C15H24N4O.C15H21N3O.C14H19N3O2.CH4/c1-3-11-7-13-15(21-10-11)6-5-14-16(13)20-9-12(4-2)8-18-17(20)19-14;1-3-10-8-17-16-18-13-5-6-14-12(7-11(4-2)20-14)15(13)19(16)9-10;1-3-5-8-19-15-12-9-11(4-2)10-20-14(12)7-6-13(15)18-16(19)17;1-4-5-8-19-14-11-12(20-10-9-18(2)3)6-7-13(14)17-15(19)16;1-3-5-8-18-14-11-9-10(4-2)19-13(11)7-6-12(14)17-15(18)16;1-2-3-6-17-13-10-7-9(8-18)19-12(10)5-4-11(13)16-14(17)15;/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,19);5-6,10-11H,3-4,7-9H2,1-2H3,(H,17,18);6-7,11H,3-5,8-10H2,1-2H3,(H2,17,18);6-7,11H,4-5,8-10H2,1-3H3,(H2,16,17);6-7,10H,3-5,8-9H2,1-2H3,(H2,16,17);4-5,9,18H,2-3,6-8H2,1H3,(H2,15,16);1H4.
What are the key properties of (2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane?
(2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane has a molecular weight of 1643.24 g/mol, XLogP of 17.87, 23 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-butyl-7,8-dihydrofuro[3,2-e]benzimidazol-7-yl)methanol;1-butyl-6-[2-(dimethylamino)ethoxy]benzimidazol-2-amine;1-butyl-7-ethyl-7,8-dihydrofuro[3,2-e]benzimidazol-2-amine;1-butyl-8-ethyl-8,9-dihydro-7H-pyrano[3,2-e]benzimidazol-2-amine;4,15-diethyl-6-oxa-11,13,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,11-tetraene;4,14-diethyl-5-oxa-10,12,16-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,10-tetraene;methane is sourced from PubChem (CID 158414976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).