2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole

C15H17ClN4 — CID 106105821

IUPAC2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
SMILESCc1ccc2nc(CCl)n(CCc3ccn(C)n3)c2c1
InChIInChI=1S/C15H17ClN4/c1-11-3-4-13-14(9-11)20(15(10-16)17-13)8-6-12-5-7-19(2)18-12/h3-5,7,9H,6,8,10H2,1-2H3
InChIKeyFOMATPOEXJDGGE-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.06
Rot. Bonds4

About 2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole

2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole (PubChem CID 106105821) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
PubChem CID106105821
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
SMILESCc1ccc2nc(CCl)n(CCc3ccn(C)n3)c2c1
InChIInChI=1S/C15H17ClN4/c1-11-3-4-13-14(9-11)20(15(10-16)17-13)8-6-12-5-7-19(2)18-12/h3-5,7,9H,6,8,10H2,1-2H3
InChIKeyFOMATPOEXJDGGE-UHFFFAOYSA-N
XLogP3.06
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(chloromethyl)-5-fluoro-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole
CID 106105831
2-(1-chloroethyl)-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]benzimidazole
CID 82873688
5-(chloromethyl)-1-ethyl-3-methyl-6-[2-(1-methylpyrazol-3-yl)ethyl]imidazo[4,5-d]pyrazole
CID 106105842
2-(chloromethyl)-6-methyl-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906911
4-[2-[2-(chloromethyl)-6-methylbenzimidazol-1-yl]ethyl]thiomorpholine
CID 106326534
2-(chloromethyl)-1-[(4-ethylphenyl)methyl]-6-methylbenzimidazole
CID 106900389
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole
CID 79757744
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
CID 43660321
2-(chloromethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63960619
2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
CID 43660301
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole (CID 106105821) is 2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole is Cc1ccc2nc(CCl)n(CCc3ccn(C)n3)c2c1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole?
The InChIKey is FOMATPOEXJDGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-11-3-4-13-14(9-11)20(15(10-16)17-13)8-6-12-5-7-19(2)18-12/h3-5,7,9H,6,8,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole?
2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole has a molecular weight of 288.78 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazole is sourced from PubChem (CID 106105821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).