5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole

C16H15Cl2N3 — CID 62307541

IUPAC5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole
SMILESCc1cccc(Cn2c(C(C)Cl)nc3cc(Cl)ccc32)n1
InChIInChI=1S/C16H15Cl2N3/c1-10-4-3-5-13(19-10)9-21-15-7-6-12(18)8-14(15)20-16(21)11(2)17/h3-8,11H,9H2,1-2H3
InChIKeyCPUFTVDOERAVFD-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.74
Rot. Bonds3

About 5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole

5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole (PubChem CID 62307541) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole
PubChem CID62307541
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole
SMILESCc1cccc(Cn2c(C(C)Cl)nc3cc(Cl)ccc32)n1
InChIInChI=1S/C16H15Cl2N3/c1-10-4-3-5-13(19-10)9-21-15-7-6-12(18)8-14(15)20-16(21)11(2)17/h3-8,11H,9H2,1-2H3
InChIKeyCPUFTVDOERAVFD-UHFFFAOYSA-N
XLogP4.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292047
5-chloro-2-(1-chloroethyl)-1-ethylbenzimidazole
CID 43666414
5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420492
5-chloro-2-(1-chloroethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701310
6-chloro-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 115470581
2-(1-chloroethyl)-5-methyl-1-(pyridazin-3-ylmethyl)benzimidazole
CID 106896957
5-chloro-2-(1-chloroethyl)-1-[(1-methylimidazol-2-yl)methyl]benzimidazole
CID 63295532
5-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 115471371
5-chloro-1-[(6-methyl-2-pyridinyl)methyl]indole
CID 116623121
1-[5-chloro-1-(furan-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 46310272
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
5-chloro-2-[(1S)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93258606

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole?
The IUPAC name of 5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole (CID 62307541) is 5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole.
What is the SMILES notation for 5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole?
The canonical SMILES for 5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole is Cc1cccc(Cn2c(C(C)Cl)nc3cc(Cl)ccc32)n1.
What is the InChIKey of 5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole?
The InChIKey is CPUFTVDOERAVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10-4-3-5-13(19-10)9-21-15-7-6-12(18)8-14(15)20-16(21)11(2)17/h3-8,11H,9H2,1-2H3.
What are the key properties of 5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole?
5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole has a molecular weight of 320.22 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]benzimidazole is sourced from PubChem (CID 62307541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).