1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol

C97H75N21O3 — CID 161476772

IUPAC1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol
SMILESCOc1ccc(Cn2nc(-c3nc4c(CO)cccc4[nH]3)c3cc(-c4cncc5ccccc45)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4c(Cn5ccnc5)cccc4[nH]3)c3cc(-c4cncc5ccccc45)ccc32)cc1.c1c[nH]cn1.c1ccc2c(-c3ccc4[nH]nc(-c5nc6c(Cn7ccnc7)cccc6[nH]5)c4c3)cncc2c1
InChIInChI=1S/C35H27N7O.C32H25N5O2.C27H19N7.C3H4N2/c1-43-27-12-9-23(10-13-27)20-42-32-14-11-24(30-19-37-18-25-5-2-3-7-28(25)30)17-29(32)34(40-42)35-38-31-8-4-6-26(33(31)39-35)21-41-16-15-36-22-41;1-39-24-12-9-20(10-13-24)18-37-29-14-11-21(27-17-33-16-22-5-2-3-7-25(22)27)15-26(29)31(36-37)32-34-28-8-4-6-23(19-38)30(28)35-32;1-2-6-20-18(4-1)13-29-14-22(20)17-8-9-23-21(12-17)26(33-32-23)27-30-24-7-3-5-19(25(24)31-27)15-34-11-10-28-16-34;1-2-5-3-4-1/h2-19,22H,20-21H2,1H3,(H,38,39);2-17,38H,18-19H2,1H3,(H,34,35);1-14,16H,15H2,(H,30,31)(H,32,33);1-3H,(H,4,5)
InChIKeyWDUXWWKAAFVFNR-UHFFFAOYSA-N
MW1582.81 g/mol
LogP19.42
Rot. Bonds17

About 1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol

1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol (PubChem CID 161476772) has the molecular formula C97H75N21O3 and a molecular weight of 1582.81 g/mol. Its IUPAC name is 1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol.

Molecular Properties

Compound Name1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol
PubChem CID161476772
Molecular FormulaC97H75N21O3
Molecular Weight1582.81 g/mol
Exact Mass1581.64
IUPAC Name1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol
SMILESCOc1ccc(Cn2nc(-c3nc4c(CO)cccc4[nH]3)c3cc(-c4cncc5ccccc45)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4c(Cn5ccnc5)cccc4[nH]3)c3cc(-c4cncc5ccccc45)ccc32)cc1.c1c[nH]cn1.c1ccc2c(-c3ccc4[nH]nc(-c5nc6c(Cn7ccnc7)cccc6[nH]5)c4c3)cncc2c1
InChIInChI=1S/C35H27N7O.C32H25N5O2.C27H19N7.C3H4N2/c1-43-27-12-9-23(10-13-27)20-42-32-14-11-24(30-19-37-18-25-5-2-3-7-28(25)30)17-29(32)34(40-42)35-38-31-8-4-6-26(33(31)39-35)21-41-16-15-36-22-41;1-39-24-12-9-20(10-13-24)18-37-29-14-11-21(27-17-33-16-22-5-2-3-7-25(22)27)15-26(29)31(36-37)32-34-28-8-4-6-23(19-38)30(28)35-32;1-2-6-20-18(4-1)13-29-14-22(20)17-8-9-23-21(12-17)26(33-32-23)27-30-24-7-3-5-19(25(24)31-27)15-34-11-10-28-16-34;1-2-5-3-4-1/h2-19,22H,20-21H2,1H3,(H,38,39);2-17,38H,18-19H2,1H3,(H,34,35);1-14,16H,15H2,(H,30,31)(H,32,33);1-3H,(H,4,5)
InChIKeyWDUXWWKAAFVFNR-UHFFFAOYSA-N
XLogP19.42
TPSA292.04 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001582.81
LogP ≤ 519.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol with MolForge

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Related Compounds

CID 159337472
CID 159337472
1-cyclopropyl-N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methyl]methanamine;cyclopropylmethanamine;3-[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methylamino]-2-methylpropan-1-ol;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol
CID 158249567
4-[1-[(4-methoxyphenyl)methyl]-3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]indazol-5-yl]isoquinoline
CID 135685758
N-[[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]benzimidazol-1-yl]methyl]-2-methylpropan-2-amine
CID 91276720
[3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid
CID 158922462
[4-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]-2-pyridinyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid
CID 157107564
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine
CID 135453498
3-bromo-4-methyl-5-pyridin-4-ylpyridine;N-(3,4-diaminophenyl)methanesulfonamide;bis(1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazole-3-carbaldehyde);N-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;N-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-3H-benzimidazol-5-yl]methanesulfonamide
CID 160700224
3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole
CID 141037146
1-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136509608
3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136942925
3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid
CID 159109292

Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol?
The IUPAC name of 1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol (CID 161476772) is 1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol.
What is the SMILES notation for 1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol?
The canonical SMILES for 1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol is COc1ccc(Cn2nc(-c3nc4c(CO)cccc4[nH]3)c3cc(-c4cncc5ccccc45)ccc32)cc1.COc1ccc(Cn2nc(-c3nc4c(Cn5ccnc5)cccc4[nH]3)c3cc(-c4cncc5ccccc45)ccc32)cc1.c1c[nH]cn1.c1ccc2c(-c3ccc4[nH]nc(-c5nc6c(Cn7ccnc7)cccc6[nH]5)c4c3)cncc2c1.
What is the InChIKey of 1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol?
The InChIKey is WDUXWWKAAFVFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N7O.C32H25N5O2.C27H19N7.C3H4N2/c1-43-27-12-9-23(10-13-27)20-42-32-14-11-24(30-19-37-18-25-5-2-3-7-28(25)30)17-29(32)34(40-42)35-38-31-8-4-6-26(33(31)39-35)21-41-16-15-36-22-41;1-39-24-12-9-20(10-13-24)18-37-29-14-11-21(27-17-33-16-22-5-2-3-7-25(22)27)15-26(29)31(36-37)32-34-28-8-4-6-23(19-38)30(28)35-32;1-2-6-20-18(4-1)13-29-14-22(20)17-8-9-23-21(12-17)26(33-32-23)27-30-24-7-3-5-19(25(24)31-27)15-34-11-10-28-16-34;1-2-5-3-4-1/h2-19,22H,20-21H2,1H3,(H,38,39);2-17,38H,18-19H2,1H3,(H,34,35);1-14,16H,15H2,(H,30,31)(H,32,33);1-3H,(H,4,5).
What are the key properties of 1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol?
1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol has a molecular weight of 1582.81 g/mol, XLogP of 19.42, 17 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;4-[3-[4-(imidazol-1-ylmethyl)-1H-benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]indazol-5-yl]isoquinoline;[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol is sourced from PubChem (CID 161476772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).