1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine

C21H25ClN4 — CID 15037387

IUPAC1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
SMILESCN1CCCC(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4/c1-25-13-4-5-18(12-14-25)23-21-24-19-6-2-3-7-20(19)26(21)15-16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3,(H,23,24)
InChIKeyWGXDNPZBUVOMIS-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.63
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine

1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine (PubChem CID 15037387) has the molecular formula C21H25ClN4 and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
PubChem CID15037387
Molecular FormulaC21H25ClN4
Molecular Weight368.91 g/mol
Exact Mass368.18
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
SMILESCN1CCCC(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4/c1-25-13-4-5-18(12-14-25)23-21-24-19-6-2-3-7-20(19)26(21)15-16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3,(H,23,24)
InChIKeyWGXDNPZBUVOMIS-UHFFFAOYSA-N
XLogP4.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 97171751
trans-(1S,2S)-2-N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine
CID 97168851
cis-(1R,2S)-2-N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine
CID 97168853
N-[1-(3-aminopropyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 12891742
N-[1-(4-aminobutyl)piperidin-4-yl]-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine;trihydrochloride
CID 156621011
4-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649347
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine;hydrochloride
CID 45260440
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid
CID 67885256
1-[(4-fluorophenyl)methyl]-N-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]benzimidazol-2-amine
CID 12891548

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine (CID 15037387) is 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine is CN1CCCC(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine?
The InChIKey is WGXDNPZBUVOMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4/c1-25-13-4-5-18(12-14-25)23-21-24-19-6-2-3-7-20(19)26(21)15-16-8-10-17(22)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3,(H,23,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine?
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine has a molecular weight of 368.91 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine is sourced from PubChem (CID 15037387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).