4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline

C14H11Cl2N3 — CID 95909583

IUPAC4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc2[nH]c(-c3cc(Cl)ccc3N)nc2cc1Cl
InChIInChI=1S/C14H11Cl2N3/c1-7-4-12-13(6-10(7)16)19-14(18-12)9-5-8(15)2-3-11(9)17/h2-6H,17H2,1H3,(H,18,19)
InChIKeyFPVMPFNAPBQCJP-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.43
Rot. Bonds1

About 4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline

4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline (PubChem CID 95909583) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
PubChem CID95909583
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
SMILESCc1cc2[nH]c(-c3cc(Cl)ccc3N)nc2cc1Cl
InChIInChI=1S/C14H11Cl2N3/c1-7-4-12-13(6-10(7)16)19-14(18-12)9-5-8(15)2-3-11(9)17/h2-6H,17H2,1H3,(H,18,19)
InChIKeyFPVMPFNAPBQCJP-UHFFFAOYSA-N
XLogP4.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.43
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

2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776
2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 43470869
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methoxyaniline
CID 115411342
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-fluoroaniline
CID 107793624
5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 78912050
5,6-dichloro-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 82004397
5,6-dichloro-2-(2-fluoro-5-methylphenyl)-1H-benzimidazole
CID 82003782
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
5-chloro-2-[3-(3,4-difluorophenyl)-1H-pyrazol-5-yl]-6-methyl-1H-benzimidazole
CID 136960198
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline?
The IUPAC name of 4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline (CID 95909583) is 4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline is Cc1cc2[nH]c(-c3cc(Cl)ccc3N)nc2cc1Cl.
What is the InChIKey of 4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline?
The InChIKey is FPVMPFNAPBQCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-7-4-12-13(6-10(7)16)19-14(18-12)9-5-8(15)2-3-11(9)17/h2-6H,17H2,1H3,(H,18,19).
What are the key properties of 4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline?
4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline has a molecular weight of 292.17 g/mol, XLogP of 4.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 95909583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).