4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline

C15H13Cl2N3 — CID 94756819

IUPAC4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline
SMILESCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(N)cc1
InChIInChI=1S/C15H13Cl2N3/c1-9-19-14-6-12(16)13(17)7-15(14)20(9)8-10-2-4-11(18)5-3-10/h2-7H,8,18H2,1H3
InChIKeyYZWFYOKPDLQNRP-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.28
Rot. Bonds2

About 4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline

4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline (PubChem CID 94756819) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline
PubChem CID94756819
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline
SMILESCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(N)cc1
InChIInChI=1S/C15H13Cl2N3/c1-9-19-14-6-12(16)13(17)7-15(14)20(9)8-10-2-4-11(18)5-3-10/h2-7H,8,18H2,1H3
InChIKeyYZWFYOKPDLQNRP-UHFFFAOYSA-N
XLogP4.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)methyl]aniline
CID 82150112
1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
CID 62533806
2-methyl-1-[(6-methyl-3-pyridinyl)methyl]benzimidazol-5-amine
CID 62992193
2-chloro-5-[(2-methylbenzimidazol-1-yl)methyl]aniline
CID 43349882
5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
CID 91737844
(1S)-1-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54758434
4-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]aniline
CID 92635754
(1S)-1-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine
CID 54758337
5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 163409698
3-[(5-amino-2-methylbenzimidazol-1-yl)methyl]benzonitrile
CID 62506230
1-[(3-chloro-4-methylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 143827990
5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161938

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline?
The IUPAC name of 4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline (CID 94756819) is 4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline.
What is the SMILES notation for 4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline?
The canonical SMILES for 4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline is Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(N)cc1.
What is the InChIKey of 4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline?
The InChIKey is YZWFYOKPDLQNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-9-19-14-6-12(16)13(17)7-15(14)20(9)8-10-2-4-11(18)5-3-10/h2-7H,8,18H2,1H3.
What are the key properties of 4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline?
4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline has a molecular weight of 306.20 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline is sourced from PubChem (CID 94756819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).