2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide

C18H23N3OS — CID 96521731

IUPAC2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide
SMILESCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2-n2ccnc2)C1
InChIInChI=1S/C18H23N3OS/c1-13-4-7-17(21-9-8-19-12-21)16(10-13)18(22)20(2)14-5-6-15(11-14)23-3/h4,7-10,12,14-15H,5-6,11H2,1-3H3/t14-,15-/m1/s1
InChIKeyACBKZMPPSNCWCP-HUUCEWRRSA-N
MW329.47 g/mol
LogP3.54
Rot. Bonds4

About 2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide

2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide (PubChem CID 96521731) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide
PubChem CID96521731
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide
SMILESCS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2-n2ccnc2)C1
InChIInChI=1S/C18H23N3OS/c1-13-4-7-17(21-9-8-19-12-21)16(10-13)18(22)20(2)14-5-6-15(11-14)23-3/h4,7-10,12,14-15H,5-6,11H2,1-3H3/t14-,15-/m1/s1
InChIKeyACBKZMPPSNCWCP-HUUCEWRRSA-N
XLogP3.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-methyl-1-(3-methylsulfanylcyclopentyl)urea
CID 71920804
3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide
CID 96517663
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 71866658
3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide
CID 95898425
3-chloro-5-fluoro-2-hydroxy-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
CID 71914679
ethane;1-(2-fluoro-4-methylphenyl)imidazole
CID 143815689
N-methyl-2-[methyl(propanoyl)amino]-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide
CID 95934248
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide
CID 111477581
N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide
CID 79121701
2-(3,5-dimethylphenoxy)-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]acetamide
CID 96517678
2-(4-methoxyphenyl)-N-methyl-N-(3-methylsulfanylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 71870598
tert-butyl N-[1-[(2-imidazol-1-yl-5-methylbenzoyl)amino]-3-methylbutan-2-yl]carbamate
CID 86956646

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide?
The IUPAC name of 2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide (CID 96521731) is 2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide.
What is the SMILES notation for 2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide?
The canonical SMILES for 2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide is CS[C@@H]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2-n2ccnc2)C1.
What is the InChIKey of 2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide?
The InChIKey is ACBKZMPPSNCWCP-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-4-7-17(21-9-8-19-12-21)16(10-13)18(22)20(2)14-5-6-15(11-14)23-3/h4,7-10,12,14-15H,5-6,11H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of 2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide?
2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide has a molecular weight of 329.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N,5-dimethyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]benzamide is sourced from PubChem (CID 96521731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).