2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline

C15H13Cl2N3 — CID 56736961

IUPAC2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc2nc(-c3cc(N)c(Cl)c(Cl)c3)[nH]c2cc1C
InChIInChI=1S/C15H13Cl2N3/c1-7-3-12-13(4-8(7)2)20-15(19-12)9-5-10(16)14(17)11(18)6-9/h3-6H,18H2,1-2H3,(H,19,20)
InChIKeyFQEUYALKZDANQW-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.74
Rot. Bonds1

About 2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline

2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline (PubChem CID 56736961) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
PubChem CID56736961
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc2nc(-c3cc(N)c(Cl)c(Cl)c3)[nH]c2cc1C
InChIInChI=1S/C15H13Cl2N3/c1-7-3-12-13(4-8(7)2)20-15(19-12)9-5-10(16)14(17)11(18)6-9/h3-6H,18H2,1-2H3,(H,19,20)
InChIKeyFQEUYALKZDANQW-UHFFFAOYSA-N
XLogP4.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
CID 56736956
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
CID 103222477
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874
2-(3-chloro-4-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 82880012
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
2,3-dichloro-5-(4,7-dichloro-1H-benzimidazol-2-yl)aniline
CID 95909567
2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574
4-(1H-benzimidazol-2-yl)-2-chloro-6-methylaniline
CID 139992920
2-(3,5-dichloro-2,4-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535794
4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 95909583
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 62336559

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline (CID 56736961) is 2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline is Cc1cc2nc(-c3cc(N)c(Cl)c(Cl)c3)[nH]c2cc1C.
What is the InChIKey of 2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The InChIKey is FQEUYALKZDANQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-7-3-12-13(4-8(7)2)20-15(19-12)9-5-10(16)14(17)11(18)6-9/h3-6H,18H2,1-2H3,(H,19,20).
What are the key properties of 2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline?
2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline has a molecular weight of 306.20 g/mol, XLogP of 4.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 56736961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).