7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole

C15H12Cl3N3 — CID 86629817

IUPAC7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2cnc(Cl)c(Cl)c2)nc2cccc(Cl)c21
InChIInChI=1S/C15H12Cl3N3/c1-2-6-21-13-10(16)4-3-5-12(13)20-15(21)9-7-11(17)14(18)19-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyITZQIPHEZGCVOO-UHFFFAOYSA-N
MW340.64 g/mol
LogP5.47
Rot. Bonds3

About 7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole

7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole (PubChem CID 86629817) has the molecular formula C15H12Cl3N3 and a molecular weight of 340.64 g/mol. Its IUPAC name is 7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole
PubChem CID86629817
Molecular FormulaC15H12Cl3N3
Molecular Weight340.64 g/mol
Exact Mass339.01
IUPAC Name7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2cnc(Cl)c(Cl)c2)nc2cccc(Cl)c21
InChIInChI=1S/C15H12Cl3N3/c1-2-6-21-13-10(16)4-3-5-12(13)20-15(21)9-7-11(17)14(18)19-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyITZQIPHEZGCVOO-UHFFFAOYSA-N
XLogP5.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.64
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[3-chloro-5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]pyridin-2-amine
CID 68735523
2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole
CID 68720916
7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole
CID 68721057
2-amino-4-(7-chloro-1-propylbenzimidazol-2-yl)phenol
CID 136872106
5-(7-chloro-1-ethylbenzimidazol-2-yl)pyridin-3-amine
CID 55166004
5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
CID 141221179
3-(7-chloro-1-propylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60788262
methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate
CID 68721576
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068
7-chloro-2-(6-chloro-3-pyridinyl)-1-(2-methylpropyl)benzimidazole
CID 86629823
5,7-dichloro-2-(5-chloro-3-pyridinyl)-1-propylbenzimidazole
CID 141221175
2-(5-chloro-3-pyridinyl)-6,7-difluoro-1-propylbenzimidazole
CID 141221153

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole?
The IUPAC name of 7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole (CID 86629817) is 7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole.
What is the SMILES notation for 7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole?
The canonical SMILES for 7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole is CCCn1c(-c2cnc(Cl)c(Cl)c2)nc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole?
The InChIKey is ITZQIPHEZGCVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3/c1-2-6-21-13-10(16)4-3-5-12(13)20-15(21)9-7-11(17)14(18)19-8-9/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole?
7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole has a molecular weight of 340.64 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(5,6-dichloro-3-pyridinyl)-1-propylbenzimidazole is sourced from PubChem (CID 86629817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).