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

C21H19ClN4O3S — CID 89469506

IUPAC(1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCOc1cc(Cl)ccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)ncn3C)s1
InChIInChI=1S/C21H19ClN4O3S/c1-12-19(30-20(24-12)15-6-5-14(22)9-18(15)28-3)25-21(27)29-10-13-4-7-17-16(8-13)23-11-26(17)2/h4-9,11H,10H2,1-3H3,(H,25,27)
InChIKeyIWWCZNUNBJPVGX-UHFFFAOYSA-N
MW442.93 g/mol
LogP5.42
Rot. Bonds5

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

(1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (PubChem CID 89469506) has the molecular formula C21H19ClN4O3S and a molecular weight of 442.93 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
PubChem CID89469506
Molecular FormulaC21H19ClN4O3S
Molecular Weight442.93 g/mol
Exact Mass442.09
IUPAC Name(1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCOc1cc(Cl)ccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)ncn3C)s1
InChIInChI=1S/C21H19ClN4O3S/c1-12-19(30-20(24-12)15-6-5-14(22)9-18(15)28-3)25-21(27)29-10-13-4-7-17-16(8-13)23-11-26(17)2/h4-9,11H,10H2,1-3H3,(H,25,27)
InChIKeyIWWCZNUNBJPVGX-UHFFFAOYSA-N
XLogP5.42
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.93
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-methylbenzimidazol-5-yl)methyl N-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89469503
(1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate
CID 89460035
(1-methylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1,4-dimethylpyrazol-5-yl]acetate
CID 158690856
(1-ethylbenzimidazol-5-yl)methyl N-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89469592
(2-ethylindazol-5-yl)methyl N-[2-(2,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89459581
(1-methylbenzotriazol-5-yl)methyl N-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89469505
(1-methylbenzotriazol-5-yl)methyl N-[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]carbamate
CID 89469843
[[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]amino]-[(1-methylbenzimidazol-5-yl)methoxy]methanol
CID 134315732
(1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate
CID 89469732
(2-methylindazol-5-yl)methyl N-[2-(4-fluoro-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89459572
(1-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)methyl N-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89459540
(1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate
CID 89469636

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (CID 89469506) is (1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for (1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is COc1cc(Cl)ccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)ncn3C)s1.
What is the InChIKey of (1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The InChIKey is IWWCZNUNBJPVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S/c1-12-19(30-20(24-12)15-6-5-14(22)9-18(15)28-3)25-21(27)29-10-13-4-7-17-16(8-13)23-11-26(17)2/h4-9,11H,10H2,1-3H3,(H,25,27).
What are the key properties of (1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
(1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate has a molecular weight of 442.93 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89469506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).