2-chloro-4-phenyl-1-propan-2-ylbenzimidazole

C16H15ClN2 — CID 58212780

IUPAC2-chloro-4-phenyl-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(Cl)nc2c(-c3ccccc3)cccc21
InChIInChI=1S/C16H15ClN2/c1-11(2)19-14-10-6-9-13(15(14)18-16(19)17)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyCUWAIIATFKEWFV-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.94
Rot. Bonds2

About 2-chloro-4-phenyl-1-propan-2-ylbenzimidazole

2-chloro-4-phenyl-1-propan-2-ylbenzimidazole (PubChem CID 58212780) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-4-phenyl-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-chloro-4-phenyl-1-propan-2-ylbenzimidazole
PubChem CID58212780
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-chloro-4-phenyl-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(Cl)nc2c(-c3ccccc3)cccc21
InChIInChI=1S/C16H15ClN2/c1-11(2)19-14-10-6-9-13(15(14)18-16(19)17)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyCUWAIIATFKEWFV-UHFFFAOYSA-N
XLogP4.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenyl-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-chloro-4-phenyl-1-propan-2-ylbenzimidazole (CID 58212780) is 2-chloro-4-phenyl-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-chloro-4-phenyl-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-chloro-4-phenyl-1-propan-2-ylbenzimidazole is CC(C)n1c(Cl)nc2c(-c3ccccc3)cccc21.
What is the InChIKey of 2-chloro-4-phenyl-1-propan-2-ylbenzimidazole?
The InChIKey is CUWAIIATFKEWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11(2)19-14-10-6-9-13(15(14)18-16(19)17)12-7-4-3-5-8-12/h3-11H,1-2H3.
What are the key properties of 2-chloro-4-phenyl-1-propan-2-ylbenzimidazole?
2-chloro-4-phenyl-1-propan-2-ylbenzimidazole has a molecular weight of 270.76 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenyl-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 58212780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).