2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole

C16H12Cl2N2 — CID 143659620

IUPAC2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole
SMILESC=C(C)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C16H12Cl2N2/c1-9(2)10-6-7-13-14(8-10)20-16(19-13)15-11(17)4-3-5-12(15)18/h3-8H,1H2,2H3,(H,19,20)
InChIKeyTVXROMTVKJXVHN-UHFFFAOYSA-N
MW303.19 g/mol
LogP5.57
Rot. Bonds2

About 2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole

2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole (PubChem CID 143659620) has the molecular formula C16H12Cl2N2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole
PubChem CID143659620
Molecular FormulaC16H12Cl2N2
Molecular Weight303.19 g/mol
Exact Mass302.04
IUPAC Name2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole
SMILESC=C(C)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C16H12Cl2N2/c1-9(2)10-6-7-13-14(8-10)20-16(19-13)15-11(17)4-3-5-12(15)18/h3-8H,1H2,2H3,(H,19,20)
InChIKeyTVXROMTVKJXVHN-UHFFFAOYSA-N
XLogP5.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.19
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200
2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 143659642
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156251
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156336
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965604
2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine
CID 172685279
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole?
The IUPAC name of 2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole (CID 143659620) is 2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole?
The canonical SMILES for 2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole is C=C(C)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole?
The InChIKey is TVXROMTVKJXVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2/c1-9(2)10-6-7-13-14(8-10)20-16(19-13)15-11(17)4-3-5-12(15)18/h3-8H,1H2,2H3,(H,19,20).
What are the key properties of 2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole?
2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole has a molecular weight of 303.19 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole is sourced from PubChem (CID 143659620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).