3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline

C15H14ClN3 — CID 82946597

IUPAC3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc(C)c2nc(-c3c(N)cccc3Cl)[nH]c2c1
InChIInChI=1S/C15H14ClN3/c1-8-6-9(2)14-12(7-8)18-15(19-14)13-10(16)4-3-5-11(13)17/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyZIYVHUYLLHXFHM-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.08
Rot. Bonds1

About 3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline

3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline (PubChem CID 82946597) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
PubChem CID82946597
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc(C)c2nc(-c3c(N)cccc3Cl)[nH]c2c1
InChIInChI=1S/C15H14ClN3/c1-8-6-9(2)14-12(7-8)18-15(19-14)13-10(16)4-3-5-11(13)17/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyZIYVHUYLLHXFHM-UHFFFAOYSA-N
XLogP4.08
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.08
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

Bendazol
CID 12132
2-Phenylbenzimidazole
CID 12855
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CID 76063
Chlorfenazole
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2-(1H-1,3-Benzodiazol-2-YL)-4-chloroaniline
CID 318088
4-(1H-1,3-benzodiazol-2-yl)aniline
CID 345677
2-(1H-benzimidazol-2-yl)aniline
CID 79869
3-(1H-1,3-benzodiazol-2-yl)aniline
CID 348695
5-(1H-1,3-benzodiazol-2-yl)-2-methylaniline
CID 721011
2-((4-Chlorophenyl)methyl)-1H-benzimidazole
CID 225500
Stk857277
CID 950737
2-[(E)-2-phenylethenyl]-1H-benzimidazole
CID 5708003

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline (CID 82946597) is 3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline is Cc1cc(C)c2nc(-c3c(N)cccc3Cl)[nH]c2c1.
What is the InChIKey of 3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline?
The InChIKey is ZIYVHUYLLHXFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-8-6-9(2)14-12(7-8)18-15(19-14)13-10(16)4-3-5-11(13)17/h3-7H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline?
3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline has a molecular weight of 271.75 g/mol, XLogP of 4.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4,6-dimethyl-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 82946597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).