N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide

C24H26N4O2 — CID 59175151

IUPACN-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@H]3CCC[C@H](c4nc5ccccc5[nH]4)C3)n(C)c2c1
InChIInChI=1S/C24H26N4O2/c1-28-21-14-18(30-2)11-10-15(21)13-22(28)24(29)25-17-7-5-6-16(12-17)23-26-19-8-3-4-9-20(19)27-23/h3-4,8-11,13-14,16-17H,5-7,12H2,1-2H3,(H,25,29)(H,26,27)/t16-,17-/m0/s1
InChIKeyLEFXGIKCSHGEEV-IRXDYDNUSA-N
MW402.50 g/mol
LogP4.52
Rot. Bonds4

About N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide

N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide (PubChem CID 59175151) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide
PubChem CID59175151
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N[C@H]3CCC[C@H](c4nc5ccccc5[nH]4)C3)n(C)c2c1
InChIInChI=1S/C24H26N4O2/c1-28-21-14-18(30-2)11-10-15(21)13-22(28)24(29)25-17-7-5-6-16(12-17)23-26-19-8-3-4-9-20(19)27-23/h3-4,8-11,13-14,16-17H,5-7,12H2,1-2H3,(H,25,29)(H,26,27)/t16-,17-/m0/s1
InChIKeyLEFXGIKCSHGEEV-IRXDYDNUSA-N
XLogP4.52
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide with MolForge

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Related Compounds

N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide
CID 71095749
N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 143700080
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 71095713
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide
CID 86638539
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 59174995
6-methoxy-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1-methylindole-2-carboxamide
CID 125121929
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-(ethylamino)-3-(methylamino)benzamide;ethane
CID 143700070
N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide
CID 71035951
N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 143699929
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide
CID 166240017
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 138036144

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide?
The IUPAC name of N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide (CID 59175151) is N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide is COc1ccc2cc(C(=O)N[C@H]3CCC[C@H](c4nc5ccccc5[nH]4)C3)n(C)c2c1.
What is the InChIKey of N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide?
The InChIKey is LEFXGIKCSHGEEV-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-28-21-14-18(30-2)11-10-15(21)13-22(28)24(29)25-17-7-5-6-16(12-17)23-26-19-8-3-4-9-20(19)27-23/h3-4,8-11,13-14,16-17H,5-7,12H2,1-2H3,(H,25,29)(H,26,27)/t16-,17-/m0/s1.
What are the key properties of N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide?
N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide is sourced from PubChem (CID 59175151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).