2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole

C14H13ClN4O — CID 63637402

IUPAC2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole
SMILESCOCc1cc(Cl)nc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H13ClN4O/c1-20-8-9-6-12(15)19-13(16-9)7-14-17-10-4-2-3-5-11(10)18-14/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyXYNCZNDYSKQZEX-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.74
Rot. Bonds4

About 2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole

2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole (PubChem CID 63637402) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole
PubChem CID63637402
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole
SMILESCOCc1cc(Cl)nc(Cc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C14H13ClN4O/c1-20-8-9-6-12(15)19-13(16-9)7-14-17-10-4-2-3-5-11(10)18-14/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyXYNCZNDYSKQZEX-UHFFFAOYSA-N
XLogP2.74
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637718
2-[[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole
CID 66293043
4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine
CID 62319957
2-[[4-(methoxymethyl)triazol-1-yl]methyl]-1H-benzimidazole
CID 139019671
2-[(4-chloro-5-ethyl-6-methylpyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637400
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
[2-(1H-benzimidazol-2-ylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 63639636
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-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
CID 139695649
2-(1H-benzimidazol-2-ylmethyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63639303
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole (CID 63637402) is 2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole is COCc1cc(Cl)nc(Cc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole?
The InChIKey is XYNCZNDYSKQZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-20-8-9-6-12(15)19-13(16-9)7-14-17-10-4-2-3-5-11(10)18-14/h2-6H,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole?
2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole has a molecular weight of 288.74 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 63637402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).