2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide

C22H22N4OS — CID 51032809

IUPAC2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)NC(C)C
InChIInChI=1S/C22H22N4OS/c1-14(2)23-21(27)19-15(3)24-22(28-19)20-25-17-11-7-8-12-18(17)26(20)13-16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H,23,27)
InChIKeySBFJTZOQBOYDKQ-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.65
Rot. Bonds5

About 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide

2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 51032809) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID51032809
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)NC(C)C
InChIInChI=1S/C22H22N4OS/c1-14(2)23-21(27)19-15(3)24-22(28-19)20-25-17-11-7-8-12-18(17)26(20)13-16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H,23,27)
InChIKeySBFJTZOQBOYDKQ-UHFFFAOYSA-N
XLogP4.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

YM298198
CID 9819432
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 25190510
5-(2-amino-1,3-thiazol-4-yl)-N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]thiophene-2-carboxamide
CID 25190533
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrrolidin-1-yl)thiophene-2-carboxamide
CID 25190536
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(piperidin-1-yl)thiophene-2-carboxamide
CID 25190537
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(piperazin-1-yl)thiophene-2-carboxamide
CID 25190538
5-(azetidin-1-ylcarbonyl)-3-methyl-6-{[2-(methylamino)-1H-1,3-benzodiazol-1-yl]methyl}-1-(2-methylpropyl)-1H,2H,3H,4H-thieno[2,3-d]pyrimidine-2,4-dione
CID 16102867
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]thiophene-3-carboxamide
CID 25190511
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-1,3-thiazole-4-carboxamide
CID 25190512
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-1,3-thiazole-5-carboxamide
CID 25190513
2-Aminobenzimidazole with trans-stilbene, 8b
CID 25190545
2-Aminobenzimidazole with trans-stilbene, 8f
CID 25190548

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 51032809) is 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2nc3ccccc3n2Cc2ccccc2)sc1C(=O)NC(C)C.
What is the InChIKey of 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is SBFJTZOQBOYDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-14(2)23-21(27)19-15(3)24-22(28-19)20-25-17-11-7-8-12-18(17)26(20)13-16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3,(H,23,27).
What are the key properties of 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylbenzimidazol-2-yl)-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51032809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).