N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide

C18H16N4O — CID 155967066

IUPACN-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide
SMILESCC(NC(=O)c1cccc2[nH]ccc12)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H16N4O/c1-11(12-5-6-16-17(9-12)21-10-20-16)22-18(23)14-3-2-4-15-13(14)7-8-19-15/h2-11,19H,1H3,(H,20,21)(H,22,23)
InChIKeySHKPGMIOZZTFAK-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.54
Rot. Bonds3

About N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide

N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide (PubChem CID 155967066) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide
PubChem CID155967066
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide
SMILESCC(NC(=O)c1cccc2[nH]ccc12)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H16N4O/c1-11(12-5-6-16-17(9-12)21-10-20-16)22-18(23)14-3-2-4-15-13(14)7-8-19-15/h2-11,19H,1H3,(H,20,21)(H,22,23)
InChIKeySHKPGMIOZZTFAK-UHFFFAOYSA-N
XLogP3.54
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 42905894
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
N-[1-(furan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581973
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 26419597
tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate
CID 80998151
N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
CID 115674677
N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 97086507
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
CID 63010445
2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid
CID 43467273
N-(4,6-dimethylpyrimidin-2-yl)-1H-indole-4-carboxamide
CID 43582943
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200

Frequently Asked Questions

What is the IUPAC name of N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide (CID 155967066) is N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide is CC(NC(=O)c1cccc2[nH]ccc12)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide?
The InChIKey is SHKPGMIOZZTFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11(12-5-6-16-17(9-12)21-10-20-16)22-18(23)14-3-2-4-15-13(14)7-8-19-15/h2-11,19H,1H3,(H,20,21)(H,22,23).
What are the key properties of N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide?
N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3H-benzimidazol-5-yl)ethyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 155967066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).