N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

C23H26N4O — CID 71095713

IUPACN-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(NC1CCCC(c2nc3ccccc3[nH]2)C1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C23H26N4O/c28-23(17-9-8-15-10-11-24-14-18(15)12-17)25-19-5-3-4-16(13-19)22-26-20-6-1-2-7-21(20)27-22/h1-2,6-9,12,16,19,24H,3-5,10-11,13-14H2,(H,25,28)(H,26,27)
InChIKeyXJSBMTPSKCIWLH-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.66
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide

N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (PubChem CID 71095713) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
PubChem CID71095713
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
SMILESO=C(NC1CCCC(c2nc3ccccc3[nH]2)C1)c1ccc2c(c1)CNCC2
InChIInChI=1S/C23H26N4O/c28-23(17-9-8-15-10-11-24-14-18(15)12-17)25-19-5-3-4-16(13-19)22-26-20-6-1-2-7-21(20)27-22/h1-2,6-9,12,16,19,24H,3-5,10-11,13-14H2,(H,25,28)(H,26,27)
InChIKeyXJSBMTPSKCIWLH-UHFFFAOYSA-N
XLogP3.66
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,3S)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 68555119
N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 143699929
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]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
CID 59175200
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 59174995
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 138036144
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-methylsulfinylbenzamide;2,2,2-trifluoroacetic acid
CID 68573846
N-[(1R)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;2,3-dihydroxybutanedioic acid
CID 157284577
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide
CID 166240017
N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide
CID 59175151

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide (CID 71095713) is N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is O=C(NC1CCCC(c2nc3ccccc3[nH]2)C1)c1ccc2c(c1)CNCC2.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
The InChIKey is XJSBMTPSKCIWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(17-9-8-15-10-11-24-14-18(15)12-17)25-19-5-3-4-16(13-19)22-26-20-6-1-2-7-21(20)27-22/h1-2,6-9,12,16,19,24H,3-5,10-11,13-14H2,(H,25,28)(H,26,27).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide?
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide is sourced from PubChem (CID 71095713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).