(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide

C19H25N3O2 — CID 126431688

IUPAC(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
SMILESCOc1ccc(C2(CNC(=O)[C@H](C)n3ccnc3)CCCC2)cc1
InChIInChI=1S/C19H25N3O2/c1-15(22-12-11-20-14-22)18(23)21-13-19(9-3-4-10-19)16-5-7-17(24-2)8-6-16/h5-8,11-12,14-15H,3-4,9-10,13H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyVRPIWIIFMMVDSV-HNNXBMFYSA-N
MW327.43 g/mol
LogP3.08
Rot. Bonds6

About (2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide

(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide (PubChem CID 126431688) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
PubChem CID126431688
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
SMILESCOc1ccc(C2(CNC(=O)[C@H](C)n3ccnc3)CCCC2)cc1
InChIInChI=1S/C19H25N3O2/c1-15(22-12-11-20-14-22)18(23)21-13-19(9-3-4-10-19)16-5-7-17(24-2)8-6-16/h5-8,11-12,14-15H,3-4,9-10,13H2,1-2H3,(H,21,23)/t15-/m0/s1
InChIKeyVRPIWIIFMMVDSV-HNNXBMFYSA-N
XLogP3.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 94117739
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide
CID 75395672
2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
CID 110481439
(2R)-2-imidazol-1-yl-N-[1-(4-methoxyphenyl)piperidin-4-yl]propanamide
CID 95291018
(2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide
CID 95618458
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,2-diphenylacetamide
CID 113090745
4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide
CID 74232996
(2R)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 96564277
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 154839039
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927856

Frequently Asked Questions

What is the IUPAC name of (2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide?
The IUPAC name of (2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide (CID 126431688) is (2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide?
The canonical SMILES for (2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide is COc1ccc(C2(CNC(=O)[C@H](C)n3ccnc3)CCCC2)cc1.
What is the InChIKey of (2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide?
The InChIKey is VRPIWIIFMMVDSV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15(22-12-11-20-14-22)18(23)21-13-19(9-3-4-10-19)16-5-7-17(24-2)8-6-16/h5-8,11-12,14-15H,3-4,9-10,13H2,1-2H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide?
(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide is sourced from PubChem (CID 126431688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).