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

C22H25N3O3 — CID 143700080

IUPACN-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H]2CCCC(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C22H25N3O3/c1-27-17-11-15(12-18(13-17)28-2)22(26)23-16-7-5-6-14(10-16)21-24-19-8-3-4-9-20(19)25-21/h3-4,8-9,11-14,16H,5-7,10H2,1-2H3,(H,23,26)(H,24,25)/t14?,16-/m0/s1
InChIKeyKPTUXBBOZRFGOG-WMCAAGNKSA-N
MW379.46 g/mol
LogP4.04
Rot. Bonds5

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

N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide (PubChem CID 143700080) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
PubChem CID143700080
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H]2CCCC(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C22H25N3O3/c1-27-17-11-15(12-18(13-17)28-2)22(26)23-16-7-5-6-14(10-16)21-24-19-8-3-4-9-20(19)25-21/h3-4,8-9,11-14,16H,5-7,10H2,1-2H3,(H,23,26)(H,24,25)/t14?,16-/m0/s1
InChIKeyKPTUXBBOZRFGOG-WMCAAGNKSA-N
XLogP4.04
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide
CID 71095749
N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide
CID 59175151
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide
CID 86638539
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]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 71095713
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane
CID 143700070
N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 143699929
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-methylsulfinylbenzamide;2,2,2-trifluoroacetic acid
CID 68573846
N-[(2R,4R)-2-(1H-benzimidazol-2-yl)piperidin-4-yl]-4-methoxybenzamide
CID 71035951
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]-6-fluoro-2H-benzotriazole-4-carboxamide
CID 166240017

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide (CID 143700080) is N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N[C@H]2CCCC(c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide?
The InChIKey is KPTUXBBOZRFGOG-WMCAAGNKSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-17-11-15(12-18(13-17)28-2)22(26)23-16-7-5-6-14(10-16)21-24-19-8-3-4-9-20(19)25-21/h3-4,8-9,11-14,16H,5-7,10H2,1-2H3,(H,23,26)(H,24,25)/t14?,16-/m0/s1.
What are the key properties of N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide?
N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide has a molecular weight of 379.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 143700080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).