6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole

C17H17ClN2 — CID 46310887

IUPAC6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
SMILESCC(C)Cn1c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H17ClN2/c1-12(2)11-20-16-10-14(18)8-9-15(16)19-17(20)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyBDKDBSXROSLLSJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP5.01
Rot. Bonds3

About 6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole

6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole (PubChem CID 46310887) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
PubChem CID46310887
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole
SMILESCC(C)Cn1c(-c2ccccc2)nc2ccc(Cl)cc21
InChIInChI=1S/C17H17ClN2/c1-12(2)11-20-16-10-14(18)8-9-15(16)19-17(20)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyBDKDBSXROSLLSJ-UHFFFAOYSA-N
XLogP5.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.79
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole?
The IUPAC name of 6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole (CID 46310887) is 6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole.
What is the SMILES notation for 6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole?
The canonical SMILES for 6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole is CC(C)Cn1c(-c2ccccc2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole?
The InChIKey is BDKDBSXROSLLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-12(2)11-20-16-10-14(18)8-9-15(16)19-17(20)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole?
6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole has a molecular weight of 284.79 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-methylpropyl)-2-phenylbenzimidazole is sourced from PubChem (CID 46310887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).