N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide

C22H22N4O2 — CID 143699929

IUPACN-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NC3CCC[C@H](c4nc5ccccc5[nH]4)C3)ccc2N1
InChIInChI=1S/C22H22N4O2/c27-20-12-15-10-14(8-9-17(15)24-20)22(28)23-16-5-3-4-13(11-16)21-25-18-6-1-2-7-19(18)26-21/h1-2,6-10,13,16H,3-5,11-12H2,(H,23,28)(H,24,27)(H,25,26)/t13-,16?/m0/s1
InChIKeyHTVAPMBCQKDYEE-KNVGNIICSA-N
MW374.44 g/mol
LogP3.51
Rot. Bonds3

About N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 143699929) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID143699929
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NC3CCC[C@H](c4nc5ccccc5[nH]4)C3)ccc2N1
InChIInChI=1S/C22H22N4O2/c27-20-12-15-10-14(8-9-17(15)24-20)22(28)23-16-5-3-4-13(11-16)21-25-18-6-1-2-7-19(18)26-21/h1-2,6-10,13,16H,3-5,11-12H2,(H,23,28)(H,24,27)(H,25,26)/t13-,16?/m0/s1
InChIKeyHTVAPMBCQKDYEE-KNVGNIICSA-N
XLogP3.51
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-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-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 71095713
N-[(1R)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;2,3-dihydroxybutanedioic acid
CID 157284577
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide
CID 86638539
N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 143700080
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane
CID 143700070
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 59174995
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
CID 59175200
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-methylsulfinylbenzamide;2,2,2-trifluoroacetic acid
CID 68573846
N-(3-methylcyclobutyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103720343
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 138036144
2-oxo-N-piperidin-3-yl-1,3-dihydroindole-5-carboxamide
CID 102711516
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide
CID 166240017

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 143699929) is N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide is O=C1Cc2cc(C(=O)NC3CCC[C@H](c4nc5ccccc5[nH]4)C3)ccc2N1.
What is the InChIKey of N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is HTVAPMBCQKDYEE-KNVGNIICSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-20-12-15-10-14(8-9-17(15)24-20)22(28)23-16-5-3-4-13(11-16)21-25-18-6-1-2-7-19(18)26-21/h1-2,6-10,13,16H,3-5,11-12H2,(H,23,28)(H,24,27)(H,25,26)/t13-,16?/m0/s1.
What are the key properties of N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 143699929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).