5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole

C18H19ClN2 — CID 46310477

IUPAC5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole
SMILESCCC(c1ccccc1)c1nc2cc(Cl)ccc2n1CC
InChIInChI=1S/C18H19ClN2/c1-3-15(13-8-6-5-7-9-13)18-20-16-12-14(19)10-11-17(16)21(18)4-2/h5-12,15H,3-4H2,1-2H3
InChIKeyFUBHBZDUWSRZQF-UHFFFAOYSA-N
MW298.82 g/mol
LogP5.25
Rot. Bonds4

About 5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole

5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole (PubChem CID 46310477) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole.

Molecular Properties

Compound Name5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole
PubChem CID46310477
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole
SMILESCCC(c1ccccc1)c1nc2cc(Cl)ccc2n1CC
InChIInChI=1S/C18H19ClN2/c1-3-15(13-8-6-5-7-9-13)18-20-16-12-14(19)10-11-17(16)21(18)4-2/h5-12,15H,3-4H2,1-2H3
InChIKeyFUBHBZDUWSRZQF-UHFFFAOYSA-N
XLogP5.25
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 ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1-ethylbenzimidazol-2-yl)-phenylmethanamine
CID 60784401
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol
CID 46308191
2-[1-(azetidin-3-yl)ethyl]-5-chloro-1-ethylbenzimidazole
CID 116682105
(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
CID 61015427
ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate
CID 79474797
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
(5-chloro-1-methylbenzimidazol-2-yl)-phenylmethanamine
CID 54920059
5-chloro-1-ethylbenzimidazole-2-carboxylic acid
CID 130659632
3-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylpropan-1-amine
CID 46308838
3-[5-chloro-2-[phenyl(phenylsulfanyl)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46309003
2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309377

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole?
The IUPAC name of 5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole (CID 46310477) is 5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole.
What is the SMILES notation for 5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole?
The canonical SMILES for 5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole is CCC(c1ccccc1)c1nc2cc(Cl)ccc2n1CC.
What is the InChIKey of 5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole?
The InChIKey is FUBHBZDUWSRZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-3-15(13-8-6-5-7-9-13)18-20-16-12-14(19)10-11-17(16)21(18)4-2/h5-12,15H,3-4H2,1-2H3.
What are the key properties of 5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole?
5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole has a molecular weight of 298.82 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-2-(1-phenylpropyl)benzimidazole is sourced from PubChem (CID 46310477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).