1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

C76H84N20O8 — CID 158263506

IUPAC1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCCC(=O)c1cc(-c2cccnc2)cc2[nH]c(NC(=O)NCC)nc12.CCNC(=O)Nc1nc2c(C(=O)C(C)C)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)C(C)CC)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)CC)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C20H23N5O2.2C19H21N5O2.C18H19N5O2/c1-4-12(3)18(26)15-9-14(13-7-6-8-21-11-13)10-16-17(15)24-19(23-16)25-20(27)22-5-2;1-4-21-19(26)24-18-22-15-9-13(12-6-5-7-20-10-12)8-14(16(15)23-18)17(25)11(2)3;1-3-6-16(25)14-9-13(12-7-5-8-20-11-12)10-15-17(14)23-18(22-15)24-19(26)21-4-2;1-3-15(24)13-8-12(11-6-5-7-19-10-11)9-14-16(13)22-17(21-14)23-18(25)20-4-2/h6-12H,4-5H2,1-3H3,(H3,22,23,24,25,27);5-11H,4H2,1-3H3,(H3,21,22,23,24,26);5,7-11H,3-4,6H2,1-2H3,(H3,21,22,23,24,26);5-10H,3-4H2,1-2H3,(H3,20,21,22,23,25)
InChIKeyGIDVASZPEIMVPQ-UHFFFAOYSA-N
MW1405.64 g/mol
LogP14.71
Rot. Bonds22

About 1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea

1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (PubChem CID 158263506) has the molecular formula C76H84N20O8 and a molecular weight of 1405.64 g/mol. Its IUPAC name is 1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
PubChem CID158263506
Molecular FormulaC76H84N20O8
Molecular Weight1405.64 g/mol
Exact Mass1404.68
IUPAC Name1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
SMILESCCCC(=O)c1cc(-c2cccnc2)cc2[nH]c(NC(=O)NCC)nc12.CCNC(=O)Nc1nc2c(C(=O)C(C)C)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)C(C)CC)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)CC)cc(-c3cccnc3)cc2[nH]1
InChIInChI=1S/C20H23N5O2.2C19H21N5O2.C18H19N5O2/c1-4-12(3)18(26)15-9-14(13-7-6-8-21-11-13)10-16-17(15)24-19(23-16)25-20(27)22-5-2;1-4-21-19(26)24-18-22-15-9-13(12-6-5-7-20-10-12)8-14(16(15)23-18)17(25)11(2)3;1-3-6-16(25)14-9-13(12-7-5-8-20-11-12)10-15-17(14)23-18(22-15)24-19(26)21-4-2;1-3-15(24)13-8-12(11-6-5-7-19-10-11)9-14-16(13)22-17(21-14)23-18(25)20-4-2/h6-12H,4-5H2,1-3H3,(H3,22,23,24,25,27);5-11H,4H2,1-3H3,(H3,21,22,23,24,26);5,7-11H,3-4,6H2,1-2H3,(H3,21,22,23,24,26);5-10H,3-4H2,1-2H3,(H3,20,21,22,23,25)
InChIKeyGIDVASZPEIMVPQ-UHFFFAOYSA-N
XLogP14.71
TPSA399.08 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001405.64
LogP ≤ 514.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Analyze 1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea with MolForge

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Related Compounds

CID 89324885
CID 89324885
1-(4-cyano-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea
CID 21366055
1-ethyl-3-(5-fluoro-4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 58241391
1-[4-(C-cyclopropyl-N-ethoxycarbonimidoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]-3-ethylurea
CID 90785547
1-ethyl-3-[4-(1-ethylimidazole-2-carbonyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 10318992
1-ethyl-3-(4-phenylmethoxy-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 21366049
1-ethyl-3-[4-[3-(2-methoxyethoxy)-2-pyridinyl]-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 44601215
1-ethyl-3-(4-imidazo[1,2-a]pyridin-2-yl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea
CID 71232480
1-ethyl-3-[4-(3-methyl-1λ3-ioda-3-azacyclohexa-1,4-dien-5-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
CID 163790450
2-[2-(ethylcarbamoylamino)-6-pyridin-3-yl-1H-benzimidazol-4-yl]-3,4-dihydropyrazole-4-carboxylic acid
CID 71033102
CID 89325071
CID 89325071
1-ethyl-3-[4-(3-fluoro-2-pyridinyl)-6-[6-[(2-methylpropylamino)methyl]-3-pyridinyl]-1H-benzimidazol-2-yl]urea
CID 11655559

Frequently Asked Questions

What is the IUPAC name of 1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea (CID 158263506) is 1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is CCCC(=O)c1cc(-c2cccnc2)cc2[nH]c(NC(=O)NCC)nc12.CCNC(=O)Nc1nc2c(C(=O)C(C)C)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)C(C)CC)cc(-c3cccnc3)cc2[nH]1.CCNC(=O)Nc1nc2c(C(=O)CC)cc(-c3cccnc3)cc2[nH]1.
What is the InChIKey of 1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
The InChIKey is GIDVASZPEIMVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.2C19H21N5O2.C18H19N5O2/c1-4-12(3)18(26)15-9-14(13-7-6-8-21-11-13)10-16-17(15)24-19(23-16)25-20(27)22-5-2;1-4-21-19(26)24-18-22-15-9-13(12-6-5-7-20-10-12)8-14(16(15)23-18)17(25)11(2)3;1-3-6-16(25)14-9-13(12-7-5-8-20-11-12)10-15-17(14)23-18(22-15)24-19(26)21-4-2;1-3-15(24)13-8-12(11-6-5-7-19-10-11)9-14-16(13)22-17(21-14)23-18(25)20-4-2/h6-12H,4-5H2,1-3H3,(H3,22,23,24,25,27);5-11H,4H2,1-3H3,(H3,21,22,23,24,26);5,7-11H,3-4,6H2,1-2H3,(H3,21,22,23,24,26);5-10H,3-4H2,1-2H3,(H3,20,21,22,23,25).
What are the key properties of 1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea?
1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea has a molecular weight of 1405.64 g/mol, XLogP of 14.71, 22 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-3-ethylurea;1-ethyl-3-[4-(2-methylbutanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-[4-(2-methylpropanoyl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea;1-ethyl-3-(4-propanoyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 158263506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).