3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride

C16H24Cl2N4O — CID 119834834

IUPAC3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(CNC(=O)C2CCCC(N)C2)nc2ccccc21
InChIInChI=1S/C16H22N4O.2ClH/c1-20-14-8-3-2-7-13(14)19-15(20)10-18-16(21)11-5-4-6-12(17)9-11;;/h2-3,7-8,11-12H,4-6,9-10,17H2,1H3,(H,18,21);2*1H
InChIKeyAGYYMEUDMOVLKK-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.55
Rot. Bonds3

About 3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119834834) has the molecular formula C16H24Cl2N4O and a molecular weight of 359.30 g/mol. Its IUPAC name is 3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119834834
Molecular FormulaC16H24Cl2N4O
Molecular Weight359.30 g/mol
Exact Mass358.13
IUPAC Name3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1c(CNC(=O)C2CCCC(N)C2)nc2ccccc21
InChIInChI=1S/C16H22N4O.2ClH/c1-20-14-8-3-2-7-13(14)19-15(20)10-18-16(21)11-5-4-6-12(17)9-11;;/h2-3,7-8,11-12H,4-6,9-10,17H2,1H3,(H,18,21);2*1H
InChIKeyAGYYMEUDMOVLKK-UHFFFAOYSA-N
XLogP2.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-amino-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclohexane-1-carboxamide
CID 118782599
3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119822799
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853959
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CID 120992778
1-cyclopentyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45171809
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
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3-amino-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]cyclopentane-1-carboxamide
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CID 55454693
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835377
(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128975623
N-[(3-methyl-4-oxoquinazolin-2-yl)methyl]cyclohexanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119834834) is 3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.Cn1c(CNC(=O)C2CCCC(N)C2)nc2ccccc21.
What is the InChIKey of 3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is AGYYMEUDMOVLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.2ClH/c1-20-14-8-3-2-7-13(14)19-15(20)10-18-16(21)11-5-4-6-12(17)9-11;;/h2-3,7-8,11-12H,4-6,9-10,17H2,1H3,(H,18,21);2*1H.
What are the key properties of 3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 359.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119834834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).