methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate

C18H18N2O3 — CID 134360348

IUPACmethyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(OC)cc1
InChIInChI=1S/C18H18N2O3/c1-12-19-16-10-14(18(21)23-3)6-9-17(16)20(12)11-13-4-7-15(22-2)8-5-13/h4-10H,11H2,1-3H3
InChIKeyCUXSJDPCQXBMRV-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.19
Rot. Bonds4

About methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate

methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate (PubChem CID 134360348) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
PubChem CID134360348
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(OC)cc1
InChIInChI=1S/C18H18N2O3/c1-12-19-16-10-14(18(21)23-3)6-9-17(16)20(12)11-13-4-7-15(22-2)8-5-13/h4-10H,11H2,1-3H3
InChIKeyCUXSJDPCQXBMRV-UHFFFAOYSA-N
XLogP3.19
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
1-[(3-chloro-5-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 171845664
methyl 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylate
CID 67276827
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
1-[(3-chloro-4-methylphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 143827990
[4-[(5-carbamoyl-2-methylbenzimidazol-1-yl)methyl]phenyl]phosphonous acid
CID 155205659
methyl 2,4-dichloro-5-[(4-methoxyphenyl)methyl]pyrimido[5,4-b]indole-7-carboxylate
CID 171842045
methyl 1,2-diethylbenzimidazole-5-carboxylate
CID 167201887
methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
CID 175654005
1-ethyl-N-[(4-methoxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2323425
ethyl 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18680819
methyl 4-[(5-benzoyl-2-propylbenzimidazol-1-yl)methyl]benzoate
CID 15546115

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate?
The IUPAC name of methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate (CID 134360348) is methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate is COC(=O)c1ccc2c(c1)nc(C)n2Cc1ccc(OC)cc1.
What is the InChIKey of methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate?
The InChIKey is CUXSJDPCQXBMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-19-16-10-14(18(21)23-3)6-9-17(16)20(12)11-13-4-7-15(22-2)8-5-13/h4-10H,11H2,1-3H3.
What are the key properties of methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate?
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate is sourced from PubChem (CID 134360348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).