2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide

C15H19ClN4O — CID 65225410

IUPAC2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C15H19ClN4O/c1-10(2)11(8-17)15(21)19-13-5-3-4-12(16)14(13)20-7-6-18-9-20/h3-7,9-11H,8,17H2,1-2H3,(H,19,21)
InChIKeyQBVZLIVWJPYKGR-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.70
Rot. Bonds5

About 2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide

2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide (PubChem CID 65225410) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide
PubChem CID65225410
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)Nc1cccc(Cl)c1-n1ccnc1
InChIInChI=1S/C15H19ClN4O/c1-10(2)11(8-17)15(21)19-13-5-3-4-12(16)14(13)20-7-6-18-9-20/h3-7,9-11H,8,17H2,1-2H3,(H,19,21)
InChIKeyQBVZLIVWJPYKGR-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)propanamide
CID 54991269
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 61155309
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 104902699
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-3,3-dimethylbutanamide
CID 61155642
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)pentanamide
CID 107568364
3-amino-4-(3-chloro-2-imidazol-1-ylanilino)-4-oxobutanoic acid
CID 64897235
N'-(3-chloro-2-imidazol-1-ylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441412
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
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 2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide (CID 65225410) is 2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide is CC(C)C(CN)C(=O)Nc1cccc(Cl)c1-n1ccnc1.
What is the InChIKey of 2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide?
The InChIKey is QBVZLIVWJPYKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10(2)11(8-17)15(21)19-13-5-3-4-12(16)14(13)20-7-6-18-9-20/h3-7,9-11H,8,17H2,1-2H3,(H,19,21).
What are the key properties of 2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide?
2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide has a molecular weight of 306.80 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-chloro-2-imidazol-1-ylphenyl)-3-methylbutanamide is sourced from PubChem (CID 65225410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).