(2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide

C20H28N4O — CID 95618458

IUPAC(2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide
SMILESC[C@H](NC1(CNC(=O)[C@H](C)n2ccnc2)CCCC1)c1ccccc1
InChIInChI=1S/C20H28N4O/c1-16(18-8-4-3-5-9-18)23-20(10-6-7-11-20)14-22-19(25)17(2)24-13-12-21-15-24/h3-5,8-9,12-13,15-17,23H,6-7,10-11,14H2,1-2H3,(H,22,25)/t16-,17-/m0/s1
InChIKeyPKBNYKWNVJJBMK-IRXDYDNUSA-N
MW340.47 g/mol
LogP3.22
Rot. Bonds7

About (2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide

(2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide (PubChem CID 95618458) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide
PubChem CID95618458
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide
SMILESC[C@H](NC1(CNC(=O)[C@H](C)n2ccnc2)CCCC1)c1ccccc1
InChIInChI=1S/C20H28N4O/c1-16(18-8-4-3-5-9-18)23-20(10-6-7-11-20)14-22-19(25)17(2)24-13-12-21-15-24/h3-5,8-9,12-13,15-17,23H,6-7,10-11,14H2,1-2H3,(H,22,25)/t16-,17-/m0/s1
InChIKeyPKBNYKWNVJJBMK-IRXDYDNUSA-N
XLogP3.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Benznidazole
CID 31593
5H,10H-imidazo[1,2-a]indeno[1,2-e]pyrazin-4-one
CID 10353549
N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide
CID 2939686
N-benzyl-7-[3-(1H-imidazol-1-yl)propyl]-6-imino-13-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3240704
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
CID 53327840
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pentanamide
CID 54581935
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-pentan-3-ylimidazol-4-yl)pentanamide
CID 54585748
N-(3-imidazol-1-ylpropyl)-N'-(1-phenylethyl)oxamide
CID 2861400
1'-Methylspiro[2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-16,2'-pyrrolidine]-7-one
CID 10062914
16-Amino-16-propyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one
CID 18975429
16-Amino-16-butyl-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-7-one
CID 18975431
2-[4-methyl-5-[[[2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]amino]methyl]imidazol-1-yl]-N-piperidin-3-ylacetamide
CID 25022639

Frequently Asked Questions

What is the IUPAC name of (2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide?
The IUPAC name of (2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide (CID 95618458) is (2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide?
The canonical SMILES for (2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide is C[C@H](NC1(CNC(=O)[C@H](C)n2ccnc2)CCCC1)c1ccccc1.
What is the InChIKey of (2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide?
The InChIKey is PKBNYKWNVJJBMK-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16(18-8-4-3-5-9-18)23-20(10-6-7-11-20)14-22-19(25)17(2)24-13-12-21-15-24/h3-5,8-9,12-13,15-17,23H,6-7,10-11,14H2,1-2H3,(H,22,25)/t16-,17-/m0/s1.
What are the key properties of (2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide?
(2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-imidazol-1-yl-N-[[1-[[(1S)-1-phenylethyl]amino]cyclopentyl]methyl]propanamide is sourced from PubChem (CID 95618458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).