6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole

C15H13Cl2N3 — CID 114701318

IUPAC6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
SMILESCc1cnccc1Cn1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C15H13Cl2N3/c1-10-8-18-5-4-11(10)9-20-14-6-12(17)2-3-13(14)19-15(20)7-16/h2-6,8H,7,9H2,1H3
InChIKeyLXSFKJHAUARRPD-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.18
Rot. Bonds3

About 6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole

6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole (PubChem CID 114701318) has the molecular formula C15H13Cl2N3 and a molecular weight of 306.20 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
PubChem CID114701318
Molecular FormulaC15H13Cl2N3
Molecular Weight306.20 g/mol
Exact Mass305.05
IUPAC Name6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
SMILESCc1cnccc1Cn1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C15H13Cl2N3/c1-10-8-18-5-4-11(10)9-20-14-6-12(17)2-3-13(14)19-15(20)7-16/h2-6,8H,7,9H2,1H3
InChIKeyLXSFKJHAUARRPD-UHFFFAOYSA-N
XLogP4.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.18
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-1-[(4-methyl-3-pyridinyl)methyl]benzimidazol-2-amine
CID 114956852
5-chloro-2-(1-chloroethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701310
6-chloro-2-(chloromethyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 115471149
6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 115471451
2-(1-chloroethyl)-6-methyl-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole
CID 114701298
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
6-chloro-2-(chloromethyl)-1-[(2-methoxy-4-pyridinyl)methyl]benzimidazole
CID 115471492
2-[[6-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,3-thiazole
CID 115471283
1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 113316328
6-chloro-2-(2-chloroethyl)-1-[(2-fluorophenyl)methyl]benzimidazole
CID 115470803
2-(2-chloroethyl)-3-[(3-methyl-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 114701242
6-chloro-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 115471520

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole?
The IUPAC name of 6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole (CID 114701318) is 6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole?
The canonical SMILES for 6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole is Cc1cnccc1Cn1c(CCl)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole?
The InChIKey is LXSFKJHAUARRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3/c1-10-8-18-5-4-11(10)9-20-14-6-12(17)2-3-13(14)19-15(20)7-16/h2-6,8H,7,9H2,1H3.
What are the key properties of 6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole?
6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole has a molecular weight of 306.20 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-1-[(3-methyl-4-pyridinyl)methyl]benzimidazole is sourced from PubChem (CID 114701318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).