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

C21H19FN4O3S — CID 89469557

IUPAC(1-methylbenzimidazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCOc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)ncn3C)s1
InChIInChI=1S/C21H19FN4O3S/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)
InChIKeyIKYGMWZTJKUUKA-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.90
Rot. Bonds5

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

(1-methylbenzimidazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (PubChem CID 89469557) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
PubChem CID89469557
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC Name(1-methylbenzimidazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate
SMILESCOc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)ncn3C)s1
InChIInChI=1S/C21H19FN4O3S/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)
InChIKeyIKYGMWZTJKUUKA-UHFFFAOYSA-N
XLogP4.90
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1-benzofuran-6-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propanamide
CID 57391310
4-(4-methoxyphenyl)-N-(2-(2-methyl-5-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)ethyl)thiazol-2-amine
CID 42601037
4-{[5-(2-fluoro-6-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]methyl}-1,3-thiazol-2-amine
CID 50972717
2-(benzimidazol-1-yl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 16661601
4-(1-methylbenzimidazol-2-yl)-N-[4-octoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791418
2-[4-Methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzimidazol-1-yl]acetic acid
CID 60033950
2-[6-Methyl-5-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzimidazol-1-yl]acetic acid
CID 60033976
2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-1-propan-2-ylbenzimidazol-4-amine
CID 67005219
5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]benzimidazol-5-yl]-1H-pyridin-2-one
CID 72699392
(5-Fluoro-2-methoxy-phenyl)-[4-(1-methyl-1H-benzoimidazol-5-yl)-thiazol-2-yl]-amine
CID 86674176
Ethyl 1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboximidate
CID 87360109
5-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(5-methyl-1H-imidazol-2-yl)phenyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 87549404

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The IUPAC name of (1-methylbenzimidazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate (CID 89469557) is (1-methylbenzimidazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for (1-methylbenzimidazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is COc1cc(F)ccc1-c1nc(C)c(NC(=O)OCc2ccc3c(c2)ncn3C)s1.
What is the InChIKey of (1-methylbenzimidazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
The InChIKey is IKYGMWZTJKUUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/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-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate?
(1-methylbenzimidazol-5-yl)methyl N-[2-(4-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate has a molecular weight of 426.47 g/mol, XLogP of 4.90, 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-fluoro-2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 89469557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).