4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline

C14H11Cl2N3 — CID 139915272

IUPAC4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline
SMILESCNc1ccc(Cl)cc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H11Cl2N3/c1-17-11-4-2-8(15)6-10(11)14-18-12-5-3-9(16)7-13(12)19-14/h2-7,17H,1H3,(H,18,19)
InChIKeyKLHRHHSZICXQQP-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.58
Rot. Bonds2

About 4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline

4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline (PubChem CID 139915272) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline
PubChem CID139915272
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline
SMILESCNc1ccc(Cl)cc1-c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H11Cl2N3/c1-17-11-4-2-8(15)6-10(11)14-18-12-5-3-9(16)7-13(12)19-14/h2-7,17H,1H3,(H,18,19)
InChIKeyKLHRHHSZICXQQP-UHFFFAOYSA-N
XLogP4.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
6-chloro-2-(2,6-dimethyl-3-pyridinyl)-1H-benzimidazole
CID 60975061
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
N-[4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-methylacetamide
CID 139915310
3-(6-chloro-1H-benzimidazol-2-yl)-5-ethylthiophen-2-amine
CID 63614668
2-(6-chloro-1H-benzimidazol-2-yl)-6-methylphenol
CID 135988298
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
6-chloro-2-(furan-2-yl)-1H-benzimidazole
CID 5056728
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776
2-(2,5-dichlorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline?
The IUPAC name of 4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline (CID 139915272) is 4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline.
What is the SMILES notation for 4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline?
The canonical SMILES for 4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline is CNc1ccc(Cl)cc1-c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline?
The InChIKey is KLHRHHSZICXQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-17-11-4-2-8(15)6-10(11)14-18-12-5-3-9(16)7-13(12)19-14/h2-7,17H,1H3,(H,18,19).
What are the key properties of 4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline?
4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline has a molecular weight of 292.17 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6-chloro-1H-benzimidazol-2-yl)-N-methylaniline is sourced from PubChem (CID 139915272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).