(1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate

C16H15N3O3 — CID 90538276

IUPAC(1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)Oc1ccc2c(c1)ncn2C
InChIInChI=1S/C16H15N3O3/c1-19-10-17-13-9-11(7-8-14(13)19)22-16(20)18-12-5-3-4-6-15(12)21-2/h3-10H,1-2H3,(H,18,20)
InChIKeyALLZYPLBMASKEI-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.19
Rot. Bonds3

About (1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate

(1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate (PubChem CID 90538276) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate
PubChem CID90538276
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate
SMILESCOc1ccccc1NC(=O)Oc1ccc2c(c1)ncn2C
InChIInChI=1S/C16H15N3O3/c1-19-10-17-13-9-11(7-8-14(13)19)22-16(20)18-12-5-3-4-6-15(12)21-2/h3-10H,1-2H3,(H,18,20)
InChIKeyALLZYPLBMASKEI-UHFFFAOYSA-N
XLogP3.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate
CID 90538292
[3-[(2-methoxyphenyl)carbamoyloxy]phenyl] N-(2-methoxyphenyl)carbamate
CID 4848536
1-O-methyl 2-O-(1-methylbenzimidazol-5-yl) benzene-1,2-dicarboxylate
CID 90538186
(1-methylbenzimidazol-5-yl) N-ethylcarbamate
CID 90538309
(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
(1-methylbenzimidazol-5-yl) 4-bromobutanoate
CID 90538196
(1-methylbenzimidazol-5-yl) 2-pyridin-3-yloxyacetate
CID 90538033
N-(3-methoxyphenyl)-2-(1-methylbenzimidazol-5-yl)acetamide
CID 110772965
(1-methylbenzimidazol-5-yl) 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
CID 90538029
5-[(2-carboxyphenyl)carbamoyloxy]-2-methoxybenzoic acid
CID 18974701

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate?
The IUPAC name of (1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate (CID 90538276) is (1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate?
The canonical SMILES for (1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate is COc1ccccc1NC(=O)Oc1ccc2c(c1)ncn2C.
What is the InChIKey of (1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate?
The InChIKey is ALLZYPLBMASKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-19-10-17-13-9-11(7-8-14(13)19)22-16(20)18-12-5-3-4-6-15(12)21-2/h3-10H,1-2H3,(H,18,20).
What are the key properties of (1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate?
(1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate has a molecular weight of 297.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate is sourced from PubChem (CID 90538276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).