methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate

C17H16N2O2 — CID 1070610

IUPACmethyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(C)n2Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12-18-15-10-14(17(20)21-2)8-9-16(15)19(12)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyMZPJCRTZEVZGHI-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.18
Rot. Bonds3

About methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate

methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate (PubChem CID 1070610) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
PubChem CID1070610
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Namemethyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(C)n2Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12-18-15-10-14(17(20)21-2)8-9-16(15)19(12)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyMZPJCRTZEVZGHI-UHFFFAOYSA-N
XLogP3.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
methyl 1-benzyl-2-(4-methylpiperidin-1-yl)benzimidazole-5-carboxylate
CID 10546679
methyl 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylate
CID 67276827
ethyl 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18680819
N-(1-benzyl-2-methylbenzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 1077765
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide
CID 168521415
1-[(3-chloro-5-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 171845664
methyl 4-[(5-benzoyl-2-propylbenzimidazol-1-yl)methyl]benzoate
CID 15546115
1-[(3-chloro-4-methylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 143827990
1-(1-benzyl-2-phenylbenzimidazol-5-yl)ethanone
CID 71512806

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate (CID 1070610) is methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(C)n2Cc1ccccc1.
What is the InChIKey of methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate?
The InChIKey is MZPJCRTZEVZGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-18-15-10-14(17(20)21-2)8-9-16(15)19(12)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate?
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate is sourced from PubChem (CID 1070610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).