2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole

C15H17ClN4 — CID 79238244

IUPAC2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
SMILESCc1nn(C)c(C)c1Cn1c(CCl)nc2ccccc21
InChIInChI=1S/C15H17ClN4/c1-10-12(11(2)19(3)18-10)9-20-14-7-5-4-6-13(14)17-15(20)8-16/h4-7H,8-9H2,1-3H3
InChIKeyOYOPEABUCQXOIE-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.17
Rot. Bonds3

About 2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole

2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole (PubChem CID 79238244) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
PubChem CID79238244
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
SMILESCc1nn(C)c(C)c1Cn1c(CCl)nc2ccccc21
InChIInChI=1S/C15H17ClN4/c1-10-12(11(2)19(3)18-10)9-20-14-7-5-4-6-13(14)17-15(20)8-16/h4-7H,8-9H2,1-3H3
InChIKeyOYOPEABUCQXOIE-UHFFFAOYSA-N
XLogP3.17
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.17
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

7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
CID 79234541
2-(chloromethyl)-7-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79279788
2-(chloromethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 29075827
2-(chloromethyl)-1-[(4-methylsulfanylphenyl)methyl]benzimidazole
CID 142101817
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
5-[[2-(chloromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420447
2-(chloromethyl)-1-(3,3,3-trifluoropropyl)benzimidazole
CID 63226848
N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 29075823
5-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420298
2-(chloromethyl)-1-[(3-ethyl-2-pyridinyl)methyl]benzimidazole
CID 82742020
2-(chloromethyl)-1-(3-phenylbutyl)benzimidazole
CID 63547545
3-[[2-(chloromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106406922

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole (CID 79238244) is 2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole is Cc1nn(C)c(C)c1Cn1c(CCl)nc2ccccc21.
What is the InChIKey of 2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole?
The InChIKey is OYOPEABUCQXOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-10-12(11(2)19(3)18-10)9-20-14-7-5-4-6-13(14)17-15(20)8-16/h4-7H,8-9H2,1-3H3.
What are the key properties of 2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole?
2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole has a molecular weight of 288.78 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole is sourced from PubChem (CID 79238244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).