[1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine

C15H13Cl2N3 — CID 70348639

IUPAC[1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine
SMILESNCc1nc2ccccc2n1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H13Cl2N3/c16-11-5-10(6-12(17)7-11)9-20-14-4-2-1-3-13(14)19-15(20)8-18/h1-7H,8-9,18H2
InChIKeyCBONUVBGCCJVDU-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.85
Rot. Bonds3

About [1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine

[1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine (PubChem CID 70348639) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is [1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine
PubChem CID70348639
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name[1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine
SMILESNCc1nc2ccccc2n1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H13Cl2N3/c16-11-5-10(6-12(17)7-11)9-20-14-4-2-1-3-13(14)19-15(20)8-18/h1-7H,8-9,18H2
InChIKeyCBONUVBGCCJVDU-UHFFFAOYSA-N
XLogP3.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150134
1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
CID 974585
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90665116
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332052
1-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfanylmethyl]benzimidazole
CID 18878253
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
1-benzyl-2-propylbenzimidazole
CID 764560
2-[1-[(3,5-dichloro-4-hydroxyphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 139624260

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine?
The IUPAC name of [1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine (CID 70348639) is [1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine.
What is the SMILES notation for [1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine?
The canonical SMILES for [1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine is NCc1nc2ccccc2n1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine?
The InChIKey is CBONUVBGCCJVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c16-11-5-10(6-12(17)7-11)9-20-14-4-2-1-3-13(14)19-15(20)8-18/h1-7H,8-9,18H2.
What are the key properties of [1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine?
[1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine has a molecular weight of 306.20 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dichlorophenyl)methyl]benzimidazol-2-yl]methanamine is sourced from PubChem (CID 70348639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).