2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide

C21H19ClN4OS — CID 24516356

IUPAC2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C21H19ClN4OS/c1-13-19(28-21(24-13)15-7-9-16(22)10-8-15)20(27)23-11-12-26-14(2)25-17-5-3-4-6-18(17)26/h3-10H,11-12H2,1-2H3,(H,23,27)
InChIKeyAWDKASNMGXWRFY-UHFFFAOYSA-N
MW410.93 g/mol
LogP4.86
Rot. Bonds5

About 2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide

2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 24516356) has the molecular formula C21H19ClN4OS and a molecular weight of 410.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID24516356
Molecular FormulaC21H19ClN4OS
Molecular Weight410.93 g/mol
Exact Mass410.10
IUPAC Name2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCn1c(C)nc2ccccc21
InChIInChI=1S/C21H19ClN4OS/c1-13-19(28-21(24-13)15-7-9-16(22)10-8-15)20(27)23-11-12-26-14(2)25-17-5-3-4-6-18(17)26/h3-10H,11-12H2,1-2H3,(H,23,27)
InChIKeyAWDKASNMGXWRFY-UHFFFAOYSA-N
XLogP4.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 24554275
4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 24503890
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 29134816
2-(4-chlorophenyl)-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide
CID 119432753
2-(4-chlorophenyl)-4-methyl-N-(4-pyrrolidin-1-ylbutyl)-1,3-thiazole-5-carboxamide
CID 39084197
2-(4-chlorophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24683000
1-[(4-chlorophenyl)methyl]-2-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 111131144
3-(4-chlorophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716505
4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55935379
2-(4-chlorophenyl)-N-(3-ethoxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24512647
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
CID 40716431
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 24516356) is 2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCCn1c(C)nc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is AWDKASNMGXWRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4OS/c1-13-19(28-21(24-13)15-7-9-16(22)10-8-15)20(27)23-11-12-26-14(2)25-17-5-3-4-6-18(17)26/h3-10H,11-12H2,1-2H3,(H,23,27).
What are the key properties of 2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 410.93 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24516356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).