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

C20H17ClN4O3S — CID 89460035

IUPAC(1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate
SMILESCOc1cc(Cl)ccc1-c1nscc1NC(=O)OCc1ccc2c(c1)ncn2C
InChIInChI=1S/C20H17ClN4O3S/c1-25-11-22-15-7-12(3-6-17(15)25)9-28-20(26)23-16-10-29-24-19(16)14-5-4-13(21)8-18(14)27-2/h3-8,10-11H,9H2,1-2H3,(H,23,26)
InChIKeyHRWQNNZQBJAPKG-UHFFFAOYSA-N
MW428.90 g/mol
LogP5.11
Rot. Bonds5

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

(1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate (PubChem CID 89460035) has the molecular formula C20H17ClN4O3S and a molecular weight of 428.90 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate
PubChem CID89460035
Molecular FormulaC20H17ClN4O3S
Molecular Weight428.90 g/mol
Exact Mass428.07
IUPAC Name(1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate
SMILESCOc1cc(Cl)ccc1-c1nscc1NC(=O)OCc1ccc2c(c1)ncn2C
InChIInChI=1S/C20H17ClN4O3S/c1-25-11-22-15-7-12(3-6-17(15)25)9-28-20(26)23-16-10-29-24-19(16)14-5-4-13(21)8-18(14)27-2/h3-8,10-11H,9H2,1-2H3,(H,23,26)
InChIKeyHRWQNNZQBJAPKG-UHFFFAOYSA-N
XLogP5.11
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.90
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1-methylbenzimidazol-5-yl)methyl N-[2-(4-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89469506
(1-methylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1,4-dimethylpyrazol-5-yl]acetate
CID 158690856
(1-methylbenzimidazol-5-yl)methyl N-[5-(2,4-dimethylphenyl)-1H-pyrazol-3-yl]carbamate
CID 89469636
(1-methylbenzimidazol-5-yl)methyl N-[2-(2,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
CID 89469503
(1-methylindazol-5-yl)methyl N-[5-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-3-yl]carbamate
CID 89469732
(1-ethylbenzimidazol-5-yl)methyl 2-[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]acetate
CID 158481307
(1-methylbenzimidazol-5-yl)methyl N-(2-methyl-4H-indeno[1,2-c]pyrazol-3-yl)carbamate
CID 89469631
benzyl N-[2-(1-methylbenzimidazol-5-yl)ethyl]carbamate
CID 110791642
(4-fluorophenyl)methyl N-(5-chloro-2-methoxyphenyl)carbamate
CID 4643203
(1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate
CID 90538276
[3-(4-chloro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1,3-benzoxazol-6-yl)carbamate
CID 89459716
[3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate
CID 89459734

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate?
The IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate (CID 89460035) is (1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate?
The canonical SMILES for (1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate is COc1cc(Cl)ccc1-c1nscc1NC(=O)OCc1ccc2c(c1)ncn2C.
What is the InChIKey of (1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate?
The InChIKey is HRWQNNZQBJAPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3S/c1-25-11-22-15-7-12(3-6-17(15)25)9-28-20(26)23-16-10-29-24-19(16)14-5-4-13(21)8-18(14)27-2/h3-8,10-11H,9H2,1-2H3,(H,23,26).
What are the key properties of (1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate?
(1-methylbenzimidazol-5-yl)methyl N-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate has a molecular weight of 428.90 g/mol, XLogP of 5.11, 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-[3-(4-chloro-2-methoxyphenyl)-1,2-thiazol-4-yl]carbamate is sourced from PubChem (CID 89460035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).