6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole

C15H12ClN3 — CID 56646160

IUPAC6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole
SMILESClc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1
InChIInChI=1S/C15H12ClN3/c16-11-3-6-13-14(8-11)19(12-4-5-12)15(18-13)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2
InChIKeyWJTVYTACNCPTPQ-UHFFFAOYSA-N
MW269.74 g/mol
LogP4.09
Rot. Bonds2

About 6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole

6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole (PubChem CID 56646160) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole
PubChem CID56646160
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole
SMILESClc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1
InChIInChI=1S/C15H12ClN3/c16-11-3-6-13-14(8-11)19(12-4-5-12)15(18-13)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2
InChIKeyWJTVYTACNCPTPQ-UHFFFAOYSA-N
XLogP4.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole?
The IUPAC name of 6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole (CID 56646160) is 6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole.
What is the SMILES notation for 6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole?
The canonical SMILES for 6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole is Clc1ccc2nc(-c3cccnc3)n(C3CC3)c2c1.
What is the InChIKey of 6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole?
The InChIKey is WJTVYTACNCPTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-11-3-6-13-14(8-11)19(12-4-5-12)15(18-13)10-2-1-7-17-9-10/h1-3,6-9,12H,4-5H2.
What are the key properties of 6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole?
6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole has a molecular weight of 269.74 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopropyl-2-pyridin-3-ylbenzimidazole is sourced from PubChem (CID 56646160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).