3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride

C21H25ClN4O — CID 119822799

IUPAC3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.Cn1c(-c2ccc(NC(=O)C3CCCC(N)C3)cc2)nc2ccccc21
InChIInChI=1S/C21H24N4O.ClH/c1-25-19-8-3-2-7-18(19)24-20(25)14-9-11-17(12-10-14)23-21(26)15-5-4-6-16(22)13-15;/h2-3,7-12,15-16H,4-6,13,22H2,1H3,(H,23,26);1H
InChIKeyVPJIOOUXCRMVGD-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.12
Rot. Bonds3

About 3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119822799) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is 3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119822799
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.Cn1c(-c2ccc(NC(=O)C3CCCC(N)C3)cc2)nc2ccccc21
InChIInChI=1S/C21H24N4O.ClH/c1-25-19-8-3-2-7-18(19)24-20(25)14-9-11-17(12-10-14)23-21(26)15-5-4-6-16(22)13-15;/h2-3,7-12,15-16H,4-6,13,22H2,1H3,(H,23,26);1H
InChIKeyVPJIOOUXCRMVGD-UHFFFAOYSA-N
XLogP4.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
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3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
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3-amino-N-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxamide;hydrochloride
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3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride (CID 119822799) is 3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride is Cl.Cn1c(-c2ccc(NC(=O)C3CCCC(N)C3)cc2)nc2ccccc21.
What is the InChIKey of 3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is VPJIOOUXCRMVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O.ClH/c1-25-19-8-3-2-7-18(19)24-20(25)14-9-11-17(12-10-14)23-21(26)15-5-4-6-16(22)13-15;/h2-3,7-12,15-16H,4-6,13,22H2,1H3,(H,23,26);1H.
What are the key properties of 3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119822799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).