[4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine

C14H12ClN3 — CID 170918495

IUPAC[4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine
SMILESNCc1nc2c(-c3ccc(Cl)cc3)cccc2[nH]1
InChIInChI=1S/C14H12ClN3/c15-10-6-4-9(5-7-10)11-2-1-3-12-14(11)18-13(8-16)17-12/h1-7H,8,16H2,(H,17,18)
InChIKeyAUHNHKOATQWFTD-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.34
Rot. Bonds2

About [4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine

[4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine (PubChem CID 170918495) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine
PubChem CID170918495
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name[4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine
SMILESNCc1nc2c(-c3ccc(Cl)cc3)cccc2[nH]1
InChIInChI=1S/C14H12ClN3/c15-10-6-4-9(5-7-10)11-2-1-3-12-14(11)18-13(8-16)17-12/h1-7H,8,16H2,(H,17,18)
InChIKeyAUHNHKOATQWFTD-UHFFFAOYSA-N
XLogP3.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole
CID 67701746
3H-imidazo[4,5-h]quinolin-2-ylmethanamine
CID 67931489
2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole
CID 121320344
[4-(2-methoxyethoxy)-1H-benzimidazol-2-yl]methanamine;dihydrochloride
CID 170918592
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721339
2-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazol-4-amine;dihydrochloride
CID 18616882
2-[[2-(aminomethyl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine;trihydrochloride
CID 170911905
[6-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]methanamine
CID 82184463
[2-(2,2,2-trifluoroethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721226
[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721264
[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 107994630

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine?
The IUPAC name of [4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine (CID 170918495) is [4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine.
What is the SMILES notation for [4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine?
The canonical SMILES for [4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine is NCc1nc2c(-c3ccc(Cl)cc3)cccc2[nH]1.
What is the InChIKey of [4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine?
The InChIKey is AUHNHKOATQWFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c15-10-6-4-9(5-7-10)11-2-1-3-12-14(11)18-13(8-16)17-12/h1-7H,8,16H2,(H,17,18).
What are the key properties of [4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine?
[4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine has a molecular weight of 257.72 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-1H-benzimidazol-2-yl]methanamine is sourced from PubChem (CID 170918495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).