5-chloro-3-phenyl-1,2-dihydrobenzimidazole

C13H11ClN2 — CID 174351589

IUPAC5-chloro-3-phenyl-1,2-dihydrobenzimidazole
SMILESClc1ccc2c(c1)N(c1ccccc1)CN2
InChIInChI=1S/C13H11ClN2/c14-10-6-7-12-13(8-10)16(9-15-12)11-4-2-1-3-5-11/h1-8,15H,9H2
InChIKeyKRRDJSNQDPZIDS-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.86
Rot. Bonds1

About 5-chloro-3-phenyl-1,2-dihydrobenzimidazole

5-chloro-3-phenyl-1,2-dihydrobenzimidazole (PubChem CID 174351589) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 5-chloro-3-phenyl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name5-chloro-3-phenyl-1,2-dihydrobenzimidazole
PubChem CID174351589
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name5-chloro-3-phenyl-1,2-dihydrobenzimidazole
SMILESClc1ccc2c(c1)N(c1ccccc1)CN2
InChIInChI=1S/C13H11ClN2/c14-10-6-7-12-13(8-10)16(9-15-12)11-4-2-1-3-5-11/h1-8,15H,9H2
InChIKeyKRRDJSNQDPZIDS-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-phenyl-1,2-dihydrobenzimidazole?
The IUPAC name of 5-chloro-3-phenyl-1,2-dihydrobenzimidazole (CID 174351589) is 5-chloro-3-phenyl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 5-chloro-3-phenyl-1,2-dihydrobenzimidazole?
The canonical SMILES for 5-chloro-3-phenyl-1,2-dihydrobenzimidazole is Clc1ccc2c(c1)N(c1ccccc1)CN2.
What is the InChIKey of 5-chloro-3-phenyl-1,2-dihydrobenzimidazole?
The InChIKey is KRRDJSNQDPZIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c14-10-6-7-12-13(8-10)16(9-15-12)11-4-2-1-3-5-11/h1-8,15H,9H2.
What are the key properties of 5-chloro-3-phenyl-1,2-dihydrobenzimidazole?
5-chloro-3-phenyl-1,2-dihydrobenzimidazole has a molecular weight of 230.70 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 174351589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).