methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate

C16H14N2O3 — CID 1229665

IUPACmethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(OC)cc3)[nH]c2c1
InChIInChI=1S/C16H14N2O3/c1-20-12-6-3-10(4-7-12)15-17-13-8-5-11(16(19)21-2)9-14(13)18-15/h3-9H,1-2H3,(H,17,18)
InChIKeyHCRBRYFXPVRDGM-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.03
Rot. Bonds3

About methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate

methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate (PubChem CID 1229665) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
PubChem CID1229665
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(OC)cc3)[nH]c2c1
InChIInChI=1S/C16H14N2O3/c1-20-12-6-3-10(4-7-12)15-17-13-8-5-11(16(19)21-2)9-14(13)18-15/h3-9H,1-2H3,(H,17,18)
InChIKeyHCRBRYFXPVRDGM-UHFFFAOYSA-N
XLogP3.03
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-aminophenyl)-3H-benzimidazole-5-carboxylate
CID 4915421
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
methyl 2-(4-propoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902829
ethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate;dihydrate
CID 134694491
methyl 2-(3,4-dihydroxyphenyl)-3H-benzimidazole-5-carboxylate
CID 136663209
4-(6-methoxy-1H-benzimidazol-2-yl)benzoate
CID 86674000
(2-oxo-2-pyridin-4-ylethyl) 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23831665
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
CID 56737080
[2-(4-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744300
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
methyl 2-(3-phenoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902843
[2-oxo-2-(pyridin-4-ylamino)ethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23744366

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate (CID 1229665) is methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate is COC(=O)c1ccc2nc(-c3ccc(OC)cc3)[nH]c2c1.
What is the InChIKey of methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate?
The InChIKey is HCRBRYFXPVRDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-12-6-3-10(4-7-12)15-17-13-8-5-11(16(19)21-2)9-14(13)18-15/h3-9H,1-2H3,(H,17,18).
What are the key properties of methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate?
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 1229665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).