(1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate

C17H17N3O4 — CID 90538292

IUPAC(1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)Oc2ccc3c(c2)ncn3C)c1OC
InChIInChI=1S/C17H17N3O4/c1-20-10-18-13-9-11(7-8-14(13)20)24-17(21)19-12-5-4-6-15(22-2)16(12)23-3/h4-10H,1-3H3,(H,19,21)
InChIKeyDWNLNKBZYQXUKS-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.20
Rot. Bonds4

About (1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate

(1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate (PubChem CID 90538292) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate
PubChem CID90538292
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name(1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)Oc2ccc3c(c2)ncn3C)c1OC
InChIInChI=1S/C17H17N3O4/c1-20-10-18-13-9-11(7-8-14(13)20)24-17(21)19-12-5-4-6-15(22-2)16(12)23-3/h4-10H,1-3H3,(H,19,21)
InChIKeyDWNLNKBZYQXUKS-UHFFFAOYSA-N
XLogP3.20
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate
CID 90538276
1-O-methyl 2-O-(1-methylbenzimidazol-5-yl) benzene-1,2-dicarboxylate
CID 90538186
(1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate
CID 90538291
(1-methylbenzimidazol-5-yl) 2-(4-methoxyphenyl)acetate
CID 90538160
(1-methylbenzimidazol-5-yl) 2-chloroacetate
CID 90538090
[3-[(2-methoxyphenyl)carbamoyloxy]phenyl] N-(2-methoxyphenyl)carbamate
CID 4848536
(1-methylbenzimidazol-5-yl) 2-pyridin-3-yloxyacetate
CID 90538033
N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide
CID 110772965
(2,6-dimethoxyphenyl) N-(2,5-dimethoxyphenyl)carbamate
CID 3325255
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 155779109
(1-methylbenzimidazol-5-yl) 1-methyltriazole-4-carboxylate
CID 90538249
1-(2,3-dimethoxyphenyl)-3-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]urea
CID 90579478

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate?
The IUPAC name of (1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate (CID 90538292) is (1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate?
The canonical SMILES for (1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate is COc1cccc(NC(=O)Oc2ccc3c(c2)ncn3C)c1OC.
What is the InChIKey of (1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate?
The InChIKey is DWNLNKBZYQXUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-20-10-18-13-9-11(7-8-14(13)20)24-17(21)19-12-5-4-6-15(22-2)16(12)23-3/h4-10H,1-3H3,(H,19,21).
What are the key properties of (1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate?
(1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate has a molecular weight of 327.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate is sourced from PubChem (CID 90538292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).