1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole

C18H19ClN2 — CID 134401303

IUPAC1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole
SMILESCCC(CC)c1ccc(Cl)cc1-n1cnc2ccccc21
InChIInChI=1S/C18H19ClN2/c1-3-13(4-2)15-10-9-14(19)11-18(15)21-12-20-16-7-5-6-8-17(16)21/h5-13H,3-4H2,1-2H3
InChIKeyNMSSJRZWXXRGBS-UHFFFAOYSA-N
MW298.82 g/mol
LogP5.58
Rot. Bonds4

About 1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole

1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole (PubChem CID 134401303) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole.

Molecular Properties

Compound Name1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole
PubChem CID134401303
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole
SMILESCCC(CC)c1ccc(Cl)cc1-n1cnc2ccccc21
InChIInChI=1S/C18H19ClN2/c1-3-13(4-2)15-10-9-14(19)11-18(15)21-12-20-16-7-5-6-8-17(16)21/h5-13H,3-4H2,1-2H3
InChIKeyNMSSJRZWXXRGBS-UHFFFAOYSA-N
XLogP5.58
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 ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-ethylphenyl)benzimidazole
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(E)-3-[2-(benzimidazol-1-yl)-4-chlorophenyl]prop-2-enoic acid
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(1S)-1-[2-(benzimidazol-1-yl)phenyl]ethanol
CID 78941271
2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine
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1-(2,3-dichlorophenyl)benzimidazole
CID 42636654
1-[2-(benzimidazol-1-yl)-5-fluorophenyl]butan-2-amine
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2,4-dichloro-1-pentan-3-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole?
The IUPAC name of 1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole (CID 134401303) is 1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole.
What is the SMILES notation for 1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole?
The canonical SMILES for 1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole is CCC(CC)c1ccc(Cl)cc1-n1cnc2ccccc21.
What is the InChIKey of 1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole?
The InChIKey is NMSSJRZWXXRGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-3-13(4-2)15-10-9-14(19)11-18(15)21-12-20-16-7-5-6-8-17(16)21/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole?
1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole has a molecular weight of 298.82 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pentan-3-ylphenyl)benzimidazole is sourced from PubChem (CID 134401303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).