4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole

C15H12Cl2N2 — CID 95909526

IUPAC4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole
SMILESCc1cc(C)cc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)c1
InChIInChI=1S/C15H12Cl2N2/c1-8-5-9(2)7-10(6-8)15-18-13-11(16)3-4-12(17)14(13)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyIIMDRAQRVBBJDC-UHFFFAOYSA-N
MW291.18 g/mol
LogP5.15
Rot. Bonds1

About 4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole

4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole (PubChem CID 95909526) has the molecular formula C15H12Cl2N2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole
PubChem CID95909526
Molecular FormulaC15H12Cl2N2
Molecular Weight291.18 g/mol
Exact Mass290.04
IUPAC Name4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole
SMILESCc1cc(C)cc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)c1
InChIInChI=1S/C15H12Cl2N2/c1-8-5-9(2)7-10(6-8)15-18-13-11(16)3-4-12(17)14(13)19-15/h3-7H,1-2H3,(H,18,19)
InChIKeyIIMDRAQRVBBJDC-UHFFFAOYSA-N
XLogP5.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.18
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,7-dichloro-2-(3,4-dichlorophenyl)-1H-benzimidazole
CID 95909549
2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline
CID 95909567
4-(4-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 84636861
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
4-chloro-2-(4-fluorophenyl)-6-methyl-1H-benzimidazole
CID 91686424
2-(3-chloro-5-methylphenyl)-1H-benzimidazol-4-amine
CID 81323414
8-(3,5-dimethylphenyl)-7H-purin-6-amine
CID 114608308
2-(3-chloro-5-methylphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720532
6-bromo-4-chloro-2-(4-methylphenyl)-1H-benzimidazole
CID 91686337
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
CID 28690834
4-chloro-2-(2,5-dimethylphenyl)-1H-benzimidazole
CID 64723918

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole?
The IUPAC name of 4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole (CID 95909526) is 4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole.
What is the SMILES notation for 4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole?
The canonical SMILES for 4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole is Cc1cc(C)cc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)c1.
What is the InChIKey of 4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole?
The InChIKey is IIMDRAQRVBBJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2/c1-8-5-9(2)7-10(6-8)15-18-13-11(16)3-4-12(17)14(13)19-15/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole?
4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole has a molecular weight of 291.18 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-(3,5-dimethylphenyl)-1H-benzimidazole is sourced from PubChem (CID 95909526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).