N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide

C20H22N6OS — CID 46975496

IUPACN-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide
SMILESCc1nn(C)cc1-c1csc(NC(=O)CCCn2c(C)nc3ccccc32)n1
InChIInChI=1S/C20H22N6OS/c1-13-15(11-25(3)24-13)17-12-28-20(22-17)23-19(27)9-6-10-26-14(2)21-16-7-4-5-8-18(16)26/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,22,23,27)
InChIKeyGCGYWBZWRBVWQI-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.93
Rot. Bonds6

About N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide

N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide (PubChem CID 46975496) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide
PubChem CID46975496
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC NameN-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide
SMILESCc1nn(C)cc1-c1csc(NC(=O)CCCn2c(C)nc3ccccc32)n1
InChIInChI=1S/C20H22N6OS/c1-13-15(11-25(3)24-13)17-12-28-20(22-17)23-19(27)9-6-10-26-14(2)21-16-7-4-5-8-18(16)26/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,22,23,27)
InChIKeyGCGYWBZWRBVWQI-UHFFFAOYSA-N
XLogP3.93
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide
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CID 37034606
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
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N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
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3-(2-methylbenzimidazol-1-yl)propanehydrazide
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4-(2-methylbenzimidazol-1-yl)butanethioamide
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2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
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6-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexanamide
CID 61275163
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 24514134
6-[[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide?
The IUPAC name of N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide (CID 46975496) is N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide.
What is the SMILES notation for N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide?
The canonical SMILES for N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide is Cc1nn(C)cc1-c1csc(NC(=O)CCCn2c(C)nc3ccccc32)n1.
What is the InChIKey of N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide?
The InChIKey is GCGYWBZWRBVWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-13-15(11-25(3)24-13)17-12-28-20(22-17)23-19(27)9-6-10-26-14(2)21-16-7-4-5-8-18(16)26/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,22,23,27).
What are the key properties of N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide?
N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide has a molecular weight of 394.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-(2-methylbenzimidazol-1-yl)butanamide is sourced from PubChem (CID 46975496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).