2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole

C15H15ClN4 — CID 63637400

IUPAC2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole
SMILESCCc1c(C)nc(Cc2nc3ccccc3[nH]2)nc1Cl
InChIInChI=1S/C15H15ClN4/c1-3-10-9(2)17-13(20-15(10)16)8-14-18-11-6-4-5-7-12(11)19-14/h4-7H,3,8H2,1-2H3,(H,18,19)
InChIKeyUCKPKZVEVGIGIY-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.47
Rot. Bonds3

About 2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole

2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole (PubChem CID 63637400) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole
PubChem CID63637400
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole
SMILESCCc1c(C)nc(Cc2nc3ccccc3[nH]2)nc1Cl
InChIInChI=1S/C15H15ClN4/c1-3-10-9(2)17-13(20-15(10)16)8-14-18-11-6-4-5-7-12(11)19-14/h4-7H,3,8H2,1-2H3,(H,18,19)
InChIKeyUCKPKZVEVGIGIY-UHFFFAOYSA-N
XLogP3.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1H-benzimidazol-2-ylmethyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 63639635
2-[(4-chloro-6-methyl-5-propan-2-ylpyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637567
2-[(4-chloro-6-ethyl-5-iodopyrimidin-2-yl)methyl]-1H-benzimidazole
CID 66294640
2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637718
2-(1H-benzimidazol-2-ylmethyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 63638962
2-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole
CID 66293043
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
3-(1H-benzimidazol-2-ylmethyl)-5-ethyl-1,2,4-oxadiazole
CID 16615146
2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole
CID 165348409
2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole
CID 63637402
2-(1H-benzimidazol-2-ylmethyl)-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478147

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole (CID 63637400) is 2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole is CCc1c(C)nc(Cc2nc3ccccc3[nH]2)nc1Cl.
What is the InChIKey of 2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole?
The InChIKey is UCKPKZVEVGIGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-3-10-9(2)17-13(20-15(10)16)8-14-18-11-6-4-5-7-12(11)19-14/h4-7H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole?
2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole has a molecular weight of 286.77 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 63637400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).