2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide

C29H29N5O2 — CID 42483495

IUPAC2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NCCc2c[nH]c3ccccc23)c2c(c1)nc(Cc1ccccc1)n2C
InChIInChI=1S/C29H29N5O2/c1-3-27(35)32-21-16-23(29(36)30-14-13-20-18-31-24-12-8-7-11-22(20)24)28-25(17-21)33-26(34(28)2)15-19-9-5-4-6-10-19/h4-12,16-18,31H,3,13-15H2,1-2H3,(H,30,36)(H,32,35)
InChIKeyCUZJEJITRWBVKX-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.97
Rot. Bonds8

About 2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide

2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide (PubChem CID 42483495) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide
PubChem CID42483495
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NCCc2c[nH]c3ccccc23)c2c(c1)nc(Cc1ccccc1)n2C
InChIInChI=1S/C29H29N5O2/c1-3-27(35)32-21-16-23(29(36)30-14-13-20-18-31-24-12-8-7-11-22(20)24)28-25(17-21)33-26(34(28)2)15-19-9-5-4-6-10-19/h4-12,16-18,31H,3,13-15H2,1-2H3,(H,30,36)(H,32,35)
InChIKeyCUZJEJITRWBVKX-UHFFFAOYSA-N
XLogP4.97
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
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CID 42693068
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619624
N-(3,5-dichlorophenyl)-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002406
6-chloro-N-[2-(1H-indol-3-yl)ethyl]-2-methylquinoline-3-carboxamide
CID 41359467
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993936
5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109104994
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide (CID 42483495) is 2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide is CCC(=O)Nc1cc(C(=O)NCCc2c[nH]c3ccccc23)c2c(c1)nc(Cc1ccccc1)n2C.
What is the InChIKey of 2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide?
The InChIKey is CUZJEJITRWBVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-3-27(35)32-21-16-23(29(36)30-14-13-20-18-31-24-12-8-7-11-22(20)24)28-25(17-21)33-26(34(28)2)15-19-9-5-4-6-10-19/h4-12,16-18,31H,3,13-15H2,1-2H3,(H,30,36)(H,32,35).
What are the key properties of 2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide?
2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 4.97, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-6-(propanoylamino)benzimidazole-4-carboxamide is sourced from PubChem (CID 42483495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).