6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole

C16H15Cl2N3 — CID 115471524

IUPAC6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
SMILESCc1cccnc1Cn1c(C(C)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C16H15Cl2N3/c1-10-4-3-7-19-14(10)9-21-15-8-12(18)5-6-13(15)20-16(21)11(2)17/h3-8,11H,9H2,1-2H3
InChIKeyGVCDUUIWVVANKU-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.74
Rot. Bonds3

About 6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole

6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole (PubChem CID 115471524) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
PubChem CID115471524
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
SMILESCc1cccnc1Cn1c(C(C)Cl)nc2ccc(Cl)cc21
InChIInChI=1S/C16H15Cl2N3/c1-10-4-3-7-19-14(10)9-21-15-8-12(18)5-6-13(15)20-16(21)11(2)17/h3-8,11H,9H2,1-2H3
InChIKeyGVCDUUIWVVANKU-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

6-chloro-2-(1-chloroethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 115470773
1-[(4-bromophenyl)methyl]-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115470996
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
5-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 115471371
6-chloro-2-(1-chloroethyl)-1-(2-pyrazol-1-ylethyl)benzimidazole
CID 115471181
6-chloro-2-(1-chloroethyl)-1-(cyclopropylmethyl)benzimidazole
CID 115470751
6-chloro-2-(1-chloroethyl)-1-(2-methylsulfanylethyl)benzimidazole
CID 115471567
6-chloro-2-(1-chloroethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazole
CID 115471398
6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 65346157
6-chloro-2-(1-chloroethyl)-1-(2-ethoxyethyl)benzimidazole
CID 113316296
6-chloro-2-(1-chloroethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
CID 113316345
6-chloro-2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494127

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole?
The IUPAC name of 6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole (CID 115471524) is 6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole.
What is the SMILES notation for 6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole?
The canonical SMILES for 6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole is Cc1cccnc1Cn1c(C(C)Cl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole?
The InChIKey is GVCDUUIWVVANKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10-4-3-7-19-14(10)9-21-15-8-12(18)5-6-13(15)20-16(21)11(2)17/h3-8,11H,9H2,1-2H3.
What are the key properties of 6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole?
6-chloro-2-(1-chloroethyl)-1-[(3-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 6-chloro-2-(1-chloroethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole is sourced from PubChem (CID 115471524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).