(2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide

C15H20N4O — CID 104902852

IUPAC(2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)7-13(16)15(20)19-12-5-3-11(4-6-12)14-8-17-9-18-14/h3-6,8-10,13H,7,16H2,1-2H3,(H,17,18)(H,19,20)/t13-/m1/s1
InChIKeyBKEHSOMZGXDWOX-CYBMUJFWSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds5

About (2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide

(2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide (PubChem CID 104902852) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide
PubChem CID104902852
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H20N4O/c1-10(2)7-13(16)15(20)19-12-5-3-11(4-6-12)14-8-17-9-18-14/h3-6,8-10,13H,7,16H2,1-2H3,(H,17,18)(H,19,20)/t13-/m1/s1
InChIKeyBKEHSOMZGXDWOX-CYBMUJFWSA-N
XLogP2.39
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 43709091
(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 61179187
(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide;hydrochloride
CID 119399823
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-amino-2-ethyl-N-[4-(1H-imidazol-5-yl)phenyl]butanamide
CID 79809348
(2S)-2-amino-4-methyl-N-pyrimidin-5-ylpentanamide
CID 107588618
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
2-amino-4-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61273999
N-[4-(1H-imidazol-5-yl)phenyl]but-2-enamide
CID 78997234
N-[4-(1H-imidazol-5-yl)phenyl]-3-methylbut-2-enamide
CID 47143697
3-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]butanoic acid
CID 104903971
N-[4-(1H-imidazol-5-yl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide
CID 102563631

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide (CID 104902852) is (2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)Nc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide?
The InChIKey is BKEHSOMZGXDWOX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)7-13(16)15(20)19-12-5-3-11(4-6-12)14-8-17-9-18-14/h3-6,8-10,13H,7,16H2,1-2H3,(H,17,18)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide?
(2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide has a molecular weight of 272.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(1H-imidazol-5-yl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 104902852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).