(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide

C16H22N4O — CID 107569369

IUPAC(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(c1ccccc1)c1nccn1C
InChIInChI=1S/C16H22N4O/c1-3-7-13(17)16(21)19-14(12-8-5-4-6-9-12)15-18-10-11-20(15)2/h4-6,8-11,13-14H,3,7,17H2,1-2H3,(H,19,21)/t13-,14?/m0/s1
InChIKeyGTZQAIXPVAMHDE-LSLKUGRBSA-N
MW286.38 g/mol
LogP1.75
Rot. Bonds6

About (2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide

(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide (PubChem CID 107569369) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
PubChem CID107569369
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(c1ccccc1)c1nccn1C
InChIInChI=1S/C16H22N4O/c1-3-7-13(17)16(21)19-14(12-8-5-4-6-9-12)15-18-10-11-20(15)2/h4-6,8-11,13-14H,3,7,17H2,1-2H3,(H,19,21)/t13-,14?/m0/s1
InChIKeyGTZQAIXPVAMHDE-LSLKUGRBSA-N
XLogP1.75
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 107568606
2-amino-N-[(1-methylbenzimidazol-2-yl)-phenylmethyl]pentanamide;dihydrochloride
CID 119863897
2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
CID 119875674
3-amino-2,2-dimethyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 115426635
2-hydroxyethyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
CID 79349483
2-methylpropyl N-[(1-methylimidazol-2-yl)-phenylmethyl]carbamate
CID 110429248
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
2-amino-N-[(4-chlorophenyl)-phenylmethyl]pentanamide
CID 119271036
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
1-ethyl-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 125161306

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide (CID 107569369) is (2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide is CCC[C@H](N)C(=O)NC(c1ccccc1)c1nccn1C.
What is the InChIKey of (2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide?
The InChIKey is GTZQAIXPVAMHDE-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-7-13(17)16(21)19-14(12-8-5-4-6-9-12)15-18-10-11-20(15)2/h4-6,8-11,13-14H,3,7,17H2,1-2H3,(H,19,21)/t13-,14?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide?
(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide has a molecular weight of 286.38 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide is sourced from PubChem (CID 107569369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).