(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide

C15H19ClN4O — CID 61155309

IUPAC(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C15H19ClN4O/c1-10(2)8-12(17)15(21)19-13-5-3-4-11(16)14(13)20-7-6-18-9-20/h3-7,9-10,12H,8,17H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyBUIRIGQHIMMLST-LBPRGKRZSA-N
MW306.80 g/mol
LogP2.84
Rot. Bonds5

About (2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide

(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide (PubChem CID 61155309) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
PubChem CID61155309
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C15H19ClN4O/c1-10(2)8-12(17)15(21)19-13-5-3-4-11(16)14(13)20-7-6-18-9-20/h3-7,9-10,12H,8,17H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyBUIRIGQHIMMLST-LBPRGKRZSA-N
XLogP2.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 104902699
3-amino-4-(3-chloro-2-imidazol-1-ylanilino)-4-oxobutanoic acid
CID 64897235
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
CID 54991269
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
CID 107568364
2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide
CID 65225410
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 61155642
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(methylamino)acetamide
CID 43699248
4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide
CID 63307734
N-(3-chloro-2-imidazol-1-ylphenyl)-5-hydroxypentanamide
CID 79200005
N-(3-chloro-2-imidazol-1-ylphenyl)-2-(cyclopropylamino)acetamide
CID 60843215
N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441412
4-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62686312

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide (CID 61155309) is (2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)Nc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of (2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide?
The InChIKey is BUIRIGQHIMMLST-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10(2)8-12(17)15(21)19-13-5-3-4-11(16)14(13)20-7-6-18-9-20/h3-7,9-10,12H,8,17H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide?
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide has a molecular weight of 306.80 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide is sourced from PubChem (CID 61155309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).