N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C19H20N4O2 — CID 17485032

IUPACN-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCn1c(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)nc2ccccc21
InChIInChI=1S/C19H20N4O2/c1-3-23-14-9-5-4-7-12(14)21-19(23)22-18(25)17-11(2)16-13(20-17)8-6-10-15(16)24/h4-5,7,9,20H,3,6,8,10H2,1-2H3,(H,21,22,25)
InChIKeyDQMJSRWYZYNQFR-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.46
Rot. Bonds3

About N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 17485032) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID17485032
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCn1c(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)nc2ccccc21
InChIInChI=1S/C19H20N4O2/c1-3-23-14-9-5-4-7-12(14)21-19(23)22-18(25)17-11(2)16-13(20-17)8-6-10-15(16)24/h4-5,7,9,20H,3,6,8,10H2,1-2H3,(H,21,22,25)
InChIKeyDQMJSRWYZYNQFR-UHFFFAOYSA-N
XLogP3.46
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-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

3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 35505129
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 51275522
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 71944357
N-(1-ethylbenzimidazol-2-yl)-6-methylpyridine-2-carboxamide
CID 46540923
N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24574939
4-bromo-N-(1-ethylbenzimidazol-2-yl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide
CID 4745006
N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
CID 27897993
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24575649
3-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 49497131
N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31011246
N-[(2-methoxyphenyl)methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 32736105
4-cyano-N-(1-ethylbenzimidazol-2-yl)benzamide
CID 27148276

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 17485032) is N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is CCn1c(NC(=O)c2[nH]c3c(c2C)C(=O)CCC3)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is DQMJSRWYZYNQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-23-14-9-5-4-7-12(14)21-19(23)22-18(25)17-11(2)16-13(20-17)8-6-10-15(16)24/h4-5,7,9,20H,3,6,8,10H2,1-2H3,(H,21,22,25).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 17485032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).