2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole

C18H19ClN2 — CID 18878777

IUPAC2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
SMILESCCC(C)Cn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C18H19ClN2/c1-3-13(2)12-21-17-11-7-6-10-16(17)20-18(21)14-8-4-5-9-15(14)19/h4-11,13H,3,12H2,1-2H3
InChIKeySVFUEMBVXDIAJA-UHFFFAOYSA-N
MW298.82 g/mol
LogP5.40
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole

2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole (PubChem CID 18878777) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
PubChem CID18878777
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole
SMILESCCC(C)Cn1c(-c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C18H19ClN2/c1-3-13(2)12-21-17-11-7-6-10-16(17)20-18(21)14-8-4-5-9-15(14)19/h4-11,13H,3,12H2,1-2H3
InChIKeySVFUEMBVXDIAJA-UHFFFAOYSA-N
XLogP5.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.82
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylbutyl)-2-(2-methylphenyl)benzimidazole
CID 17000601
3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-methylpropanenitrile
CID 82144793
2-(2-chlorophenyl)-1-propylbenzimidazole
CID 4637054
[(2R)-3-[2-(2-chlorophenyl)benzimidazol-1-yl]-2-hydroxypropyl]-diethylazanium
CID 6981814
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
2-(2-chlorophenyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 3596016
1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
CID 4626924
1-[(4-bromophenyl)methyl]-2-(2-chlorophenyl)benzimidazole
CID 17002114
2-[(4-chlorophenyl)methyl]-1-(2-methylbutyl)benzimidazole
CID 18878404
N-butyl-2-[2-(2-chlorophenyl)benzimidazol-1-yl]-N-methylacetamide
CID 17002185
2-(methoxymethyl)-1-[(2S)-2-methylbutyl]benzimidazole
CID 975612
2-chloro-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976035

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole (CID 18878777) is 2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole is CCC(C)Cn1c(-c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole?
The InChIKey is SVFUEMBVXDIAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-3-13(2)12-21-17-11-7-6-10-16(17)20-18(21)14-8-4-5-9-15(14)19/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole?
2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole has a molecular weight of 298.82 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(2-methylbutyl)benzimidazole is sourced from PubChem (CID 18878777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).