1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone

C25H26N4O2S — CID 146126716

IUPAC1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone
SMILESCOc1ccc(C2CC(C)N(C(=O)Cn3c(-c4scnc4C)nc4ccccc43)C2)cc1
InChIInChI=1S/C25H26N4O2S/c1-16-12-19(18-8-10-20(31-3)11-9-18)13-28(16)23(30)14-29-22-7-5-4-6-21(22)27-25(29)24-17(2)26-15-32-24/h4-11,15-16,19H,12-14H2,1-3H3
InChIKeyRWVQUJKNLFEESU-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.88
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone

1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone (PubChem CID 146126716) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone
PubChem CID146126716
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone
SMILESCOc1ccc(C2CC(C)N(C(=O)Cn3c(-c4scnc4C)nc4ccccc43)C2)cc1
InChIInChI=1S/C25H26N4O2S/c1-16-12-19(18-8-10-20(31-3)11-9-18)13-28(16)23(30)14-29-22-7-5-4-6-21(22)27-25(29)24-17(2)26-15-32-24/h4-11,15-16,19H,12-14H2,1-3H3
InChIKeyRWVQUJKNLFEESU-UHFFFAOYSA-N
XLogP4.88
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methylpiperazin-1-yl)-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone;dihydrochloride
CID 119472696
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 17001389
3-cyclopropyl-5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 75423002
2-(2-ethylbenzimidazol-1-yl)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 40713288
1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 40808983
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
CID 166410015
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
1-[5-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864714
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
1-[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
CID 78902802
1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 41022826
N-(2,4-dimethoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27445143

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone (CID 146126716) is 1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone is COc1ccc(C2CC(C)N(C(=O)Cn3c(-c4scnc4C)nc4ccccc43)C2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone?
The InChIKey is RWVQUJKNLFEESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-16-12-19(18-8-10-20(31-3)11-9-18)13-28(16)23(30)14-29-22-7-5-4-6-21(22)27-25(29)24-17(2)26-15-32-24/h4-11,15-16,19H,12-14H2,1-3H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone?
1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone has a molecular weight of 446.58 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-2-methylpyrrolidin-1-yl]-2-[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 146126716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).