2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide

C18H16F2N6OS — CID 43063918

IUPAC2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
SMILESCc1nc(NC(=O)C(C)n2cnc3ccccc32)sc1-c1nccn1C(F)F
InChIInChI=1S/C18H16F2N6OS/c1-10-14(15-21-7-8-25(15)17(19)20)28-18(23-10)24-16(27)11(2)26-9-22-12-5-3-4-6-13(12)26/h3-9,11,17H,1-2H3,(H,23,24,27)
InChIKeyGSGHHARXGWKHSA-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.26
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide

2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide (PubChem CID 43063918) has the molecular formula C18H16F2N6OS and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
PubChem CID43063918
Molecular FormulaC18H16F2N6OS
Molecular Weight402.43 g/mol
Exact Mass402.11
IUPAC Name2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
SMILESCc1nc(NC(=O)C(C)n2cnc3ccccc32)sc1-c1nccn1C(F)F
InChIInChI=1S/C18H16F2N6OS/c1-10-14(15-21-7-8-25(15)17(19)20)28-18(23-10)24-16(27)11(2)26-9-22-12-5-3-4-6-13(12)26/h3-9,11,17H,1-2H3,(H,23,24,27)
InChIKeyGSGHHARXGWKHSA-UHFFFAOYSA-N
XLogP4.26
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzimidazol-1-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)propanamide
CID 43063903
(2S)-2-(benzimidazol-1-yl)-N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95142229
(2S)-2-(benzimidazol-1-yl)-N-[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 95142230
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30593557
1-(2-chlorophenyl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 24626207
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 30593591
2-(1,2-benzoxazol-3-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 31519947
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 24626228
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methylpentanamide
CID 24649907
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 30342719
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 24626319
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24626205

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide (CID 43063918) is 2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide is Cc1nc(NC(=O)C(C)n2cnc3ccccc32)sc1-c1nccn1C(F)F.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
The InChIKey is GSGHHARXGWKHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6OS/c1-10-14(15-21-7-8-25(15)17(19)20)28-18(23-10)24-16(27)11(2)26-9-22-12-5-3-4-6-13(12)26/h3-9,11,17H,1-2H3,(H,23,24,27).
What are the key properties of 2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide?
2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide has a molecular weight of 402.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 43063918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).