N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide

C22H25N3O3 — CID 70099471

IUPACN-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc([C@H]2CCCC[C@H]2NC(=O)c2ccc3nc[nH]c3c2)cc1OC
InChIInChI=1S/C22H25N3O3/c1-27-20-10-8-14(12-21(20)28-2)16-5-3-4-6-17(16)25-22(26)15-7-9-18-19(11-15)24-13-23-18/h7-13,16-17H,3-6H2,1-2H3,(H,23,24)(H,25,26)/t16-,17-/m1/s1
InChIKeyHNADSPZXNMFSDC-IAGOWNOFSA-N
MW379.46 g/mol
LogP4.04
Rot. Bonds5

About N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide

N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide (PubChem CID 70099471) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
PubChem CID70099471
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc([C@H]2CCCC[C@H]2NC(=O)c2ccc3nc[nH]c3c2)cc1OC
InChIInChI=1S/C22H25N3O3/c1-27-20-10-8-14(12-21(20)28-2)16-5-3-4-6-17(16)25-22(26)15-7-9-18-19(11-15)24-13-23-18/h7-13,16-17H,3-6H2,1-2H3,(H,23,24)(H,25,26)/t16-,17-/m1/s1
InChIKeyHNADSPZXNMFSDC-IAGOWNOFSA-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

3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
CID 18406774
3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide
CID 18406745
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 18403991
N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3,5-dinitrobenzamide
CID 87855420
N-[2-(hydroxymethyl)cyclopentyl]-3H-benzimidazole-5-carboxamide
CID 103856996
methyl 2-[4-[[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]carbamoyl]phenyl]acetate
CID 54210068
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(4-nitrobenzoyl)benzamide
CID 18406743
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide
CID 18621298
N-[(2R,3S)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-3H-benzimidazole-5-carboxamide
CID 129378798

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide (CID 70099471) is N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide is COc1ccc([C@H]2CCCC[C@H]2NC(=O)c2ccc3nc[nH]c3c2)cc1OC.
What is the InChIKey of N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is HNADSPZXNMFSDC-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-20-10-8-14(12-21(20)28-2)16-5-3-4-6-17(16)25-22(26)15-7-9-18-19(11-15)24-13-23-18/h7-13,16-17H,3-6H2,1-2H3,(H,23,24)(H,25,26)/t16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide?
N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide 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-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70099471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).