2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole

C20H18N4O2 — CID 90869364

IUPAC2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole
SMILESCOc1ncc(C)c(Oc2ccc(Cc3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C20H18N4O2/c1-13-12-21-20(25-2)24-19(13)26-15-9-7-14(8-10-15)11-18-22-16-5-3-4-6-17(16)23-18/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyJBLZDSBUNXUWAS-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.05
Rot. Bonds5

About 2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole

2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole (PubChem CID 90869364) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole
PubChem CID90869364
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole
SMILESCOc1ncc(C)c(Oc2ccc(Cc3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C20H18N4O2/c1-13-12-21-20(25-2)24-19(13)26-15-9-7-14(8-10-15)11-18-22-16-5-3-4-6-17(16)23-18/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyJBLZDSBUNXUWAS-UHFFFAOYSA-N
XLogP4.05
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[3-(2-methyl-3-pyridinyl)pyrazin-2-yl]oxyphenyl]methyl]-1H-benzimidazole
CID 70893680
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-[(6-phenoxy-3-pyridinyl)methyl]-1H-benzimidazole
CID 20703828
2-[4-(1H-benzimidazol-2-ylmethyl)phenoxy]-N,N-diethylethanamine
CID 141216936
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
2-[4-(5-chloro-2-methoxypyrimidin-4-yl)oxyphenyl]ethanol
CID 107709676
2-[(2,6-dimethoxyphenyl)methyl]-1H-benzimidazole
CID 139695649
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
2-benzyl-5,6-dimethoxy-1H-benzimidazole
CID 39158335
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868
2-[3-(3,4-dimethylphenyl)propyl]-1H-benzimidazole;hydrochloride
CID 163355751

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole (CID 90869364) is 2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole is COc1ncc(C)c(Oc2ccc(Cc3nc4ccccc4[nH]3)cc2)n1.
What is the InChIKey of 2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole?
The InChIKey is JBLZDSBUNXUWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-12-21-20(25-2)24-19(13)26-15-9-7-14(8-10-15)11-18-22-16-5-3-4-6-17(16)23-18/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of 2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole?
2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole has a molecular weight of 346.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxy-5-methylpyrimidin-4-yl)oxyphenyl]methyl]-1H-benzimidazole is sourced from PubChem (CID 90869364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).