(1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate

C20H17FN4O2S — CID 89469501

IUPAC(1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCc1nc(-c2cccc(F)c2)sc1NC(=O)OCc1ccc2c(c1)ncn2C
InChIInChI=1S/C20H17FN4O2S/c1-12-18(28-19(23-12)14-4-3-5-15(21)9-14)24-20(26)27-10-13-6-7-17-16(8-13)22-11-25(17)2/h3-9,11H,10H2,1-2H3,(H,24,26)
InChIKeyZMWIMCIJRQLQRF-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.89
Rot. Bonds4

About (1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate

(1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (PubChem CID 89469501) has the molecular formula C20H17FN4O2S and a molecular weight of 396.45 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
PubChem CID89469501
Molecular FormulaC20H17FN4O2S
Molecular Weight396.45 g/mol
Exact Mass396.11
IUPAC Name(1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCc1nc(-c2cccc(F)c2)sc1NC(=O)OCc1ccc2c(c1)ncn2C
InChIInChI=1S/C20H17FN4O2S/c1-12-18(28-19(23-12)14-4-3-5-15(21)9-14)24-20(26)27-10-13-6-7-17-16(8-13)22-11-25(17)2/h3-9,11H,10H2,1-2H3,(H,24,26)
InChIKeyZMWIMCIJRQLQRF-UHFFFAOYSA-N
XLogP4.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-Methylanilino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl] imidazole-1-carboxylate
CID 145993473
2-(5,6-Difluoro-benzothiazol-2-ylamino)-1-methyl-1H-benzoimidazole-5-carboxylic acid methyl ester
CID 53356441
2-(5-fluoro-benzothiazol-2-ylamino)-1-methyl-1H-benzimidazole-5-carboxylic acid methyl ester
CID 58397476
2-(6-fluoro-benzothiazol-2-ylamino)-1-methyl-1H-benzimidazole-5-carboxylic acid methyl ester
CID 58397644
5-(5-Fluoro-2-methoxyphenyl)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-amine
CID 89239851
1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89459533
1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-ylmethyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89459535
(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89459538
(1-methylbenzimidazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89459589
(1-ethylbenzimidazol-5-yl)methyl N-[4-ethyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89459592
3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-ylmethyl N-[4-ethyl-2-(4-fluoro-2-methoxyphenyl)-1,3-thiazol-5-yl]carbamate
CID 89459615
[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl N-(1-methylbenzimidazol-5-yl)carbamate
CID 89459652

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (CID 89469501) is (1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for (1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is Cc1nc(-c2cccc(F)c2)sc1NC(=O)OCc1ccc2c(c1)ncn2C.
What is the InChIKey of (1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The InChIKey is ZMWIMCIJRQLQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S/c1-12-18(28-19(23-12)14-4-3-5-15(21)9-14)24-20(26)27-10-13-6-7-17-16(8-13)22-11-25(17)2/h3-9,11H,10H2,1-2H3,(H,24,26).
What are the key properties of (1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
(1-methylbenzimidazol-5-yl)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate has a molecular weight of 396.45 g/mol, XLogP of 4.89, 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)methyl N-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89469501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).