N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride

C16H24Cl2N4O — CID 154903516

IUPACN-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride
SMILESCc1cccc2[nH]c(CNC(=O)C3CCCNCC3)nc12.Cl.Cl
InChIInChI=1S/C16H22N4O.2ClH/c1-11-4-2-6-13-15(11)20-14(19-13)10-18-16(21)12-5-3-8-17-9-7-12;;/h2,4,6,12,17H,3,5,7-10H2,1H3,(H,18,21)(H,19,20);2*1H
InChIKeyQWDSYGNBDMYKEG-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.72
Rot. Bonds3

About N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride

N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride (PubChem CID 154903516) has the molecular formula C16H24Cl2N4O and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride
PubChem CID154903516
Molecular FormulaC16H24Cl2N4O
Molecular Weight359.30 g/mol
Exact Mass358.13
IUPAC NameN-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride
SMILESCc1cccc2[nH]c(CNC(=O)C3CCCNCC3)nc12.Cl.Cl
InChIInChI=1S/C16H22N4O.2ClH/c1-11-4-2-6-13-15(11)20-14(19-13)10-18-16(21)12-5-3-8-17-9-7-12;;/h2,4,6,12,17H,3,5,7-10H2,1H3,(H,18,21)(H,19,20);2*1H
InChIKeyQWDSYGNBDMYKEG-UHFFFAOYSA-N
XLogP2.72
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66770651
(4R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide
CID 97456255
N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide;hydrochloride
CID 154900615
(1S,5R)-3-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 56912067
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119885405
2-cyclopentyl-N-[2-(4-methyl-1H-benzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 77086079
N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119320245
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557
3-amino-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853959
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]azepane-4-carboxamide
CID 122562699
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
4-methyl-2-piperidin-4-yl-1H-benzimidazole
CID 18761517

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride (CID 154903516) is N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride is Cc1cccc2[nH]c(CNC(=O)C3CCCNCC3)nc12.Cl.Cl.
What is the InChIKey of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride?
The InChIKey is QWDSYGNBDMYKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.2ClH/c1-11-4-2-6-13-15(11)20-14(19-13)10-18-16(21)12-5-3-8-17-9-7-12;;/h2,4,6,12,17H,3,5,7-10H2,1H3,(H,18,21)(H,19,20);2*1H.
What are the key properties of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride?
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride has a molecular weight of 359.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]azepane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 154903516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).