(6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone

C19H12ClN3O — CID 155599085

IUPAC(6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1c(-c2ccncc2)nc2ccc(Cl)cc21
InChIInChI=1S/C19H12ClN3O/c20-15-6-7-16-17(12-15)23(19(24)14-4-2-1-3-5-14)18(22-16)13-8-10-21-11-9-13/h1-12H
InChIKeySTXSDSSHSOMUQK-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.44
Rot. Bonds2

About (6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone

(6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone (PubChem CID 155599085) has the molecular formula C19H12ClN3O and a molecular weight of 333.78 g/mol. Its IUPAC name is (6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone
PubChem CID155599085
Molecular FormulaC19H12ClN3O
Molecular Weight333.78 g/mol
Exact Mass333.07
IUPAC Name(6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)n1c(-c2ccncc2)nc2ccc(Cl)cc21
InChIInChI=1S/C19H12ClN3O/c20-15-6-7-16-17(12-15)23(19(24)14-4-2-1-3-5-14)18(22-16)13-8-10-21-11-9-13/h1-12H
InChIKeySTXSDSSHSOMUQK-UHFFFAOYSA-N
XLogP4.44
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone?
The IUPAC name of (6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone (CID 155599085) is (6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone.
What is the SMILES notation for (6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone?
The canonical SMILES for (6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone is O=C(c1ccccc1)n1c(-c2ccncc2)nc2ccc(Cl)cc21.
What is the InChIKey of (6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone?
The InChIKey is STXSDSSHSOMUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O/c20-15-6-7-16-17(12-15)23(19(24)14-4-2-1-3-5-14)18(22-16)13-8-10-21-11-9-13/h1-12H.
What are the key properties of (6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone?
(6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone has a molecular weight of 333.78 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridin-4-ylbenzimidazol-1-yl)-phenylmethanone is sourced from PubChem (CID 155599085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).