4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline

C15H14ClN3 — CID 168555503

IUPAC4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C15H14ClN3/c1-19(2)10-7-8-11(12(16)9-10)15-17-13-5-3-4-6-14(13)18-15/h3-9H,1-2H3,(H,17,18)
InChIKeyOUPGLFBWQDOWRG-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.95
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline

4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline (PubChem CID 168555503) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline
PubChem CID168555503
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc3ccccc3[nH]2)c(Cl)c1
InChIInChI=1S/C15H14ClN3/c1-19(2)10-7-8-11(12(16)9-10)15-17-13-5-3-4-6-14(13)18-15/h3-9H,1-2H3,(H,17,18)
InChIKeyOUPGLFBWQDOWRG-UHFFFAOYSA-N
XLogP3.95
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
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2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
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3-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)quinoline
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4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline
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2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
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2-[2-(2,3-dichlorophenyl)phenyl]-1H-benzimidazole
CID 134336861
2-(4-chloro-3-pyridinyl)-1H-benzimidazole
CID 67996480
4-(1H-benzimidazol-2-yl)-2-chloro-5-methoxyaniline
CID 43614498
2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole
CID 102008085
3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile
CID 168555369

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline (CID 168555503) is 4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline is CN(C)c1ccc(-c2nc3ccccc3[nH]2)c(Cl)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline?
The InChIKey is OUPGLFBWQDOWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-19(2)10-7-8-11(12(16)9-10)15-17-13-5-3-4-6-14(13)18-15/h3-9H,1-2H3,(H,17,18).
What are the key properties of 4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline?
4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline has a molecular weight of 271.75 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline is sourced from PubChem (CID 168555503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).