(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide

C19H22N4O — CID 119834362

IUPAC(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H22N4O/c1-19(2,3)17(20)18(24)22-13-8-10-14(11-9-13)23-12-21-15-6-4-5-7-16(15)23/h4-12,17H,20H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyGIGBLTWVEGDZCB-QGZVFWFLSA-N
MW322.41 g/mol
LogP3.34
Rot. Bonds3

About (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide (PubChem CID 119834362) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide
PubChem CID119834362
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H22N4O/c1-19(2,3)17(20)18(24)22-13-8-10-14(11-9-13)23-12-21-15-6-4-5-7-16(15)23/h4-12,17H,20H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyGIGBLTWVEGDZCB-QGZVFWFLSA-N
XLogP3.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119760560
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
CID 119834374
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
5-amino-N-[4-(benzimidazol-1-yl)phenyl]-3-tert-butylpyrazole-1-carboxamide
CID 130424443
3-[4-(benzimidazol-1-yl)phenyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylurea
CID 125174001
3-[4-(benzimidazol-1-yl)phenyl]-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-methylurea
CID 125174000
1-[4-(benzimidazol-1-yl)phenyl]-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
CID 130424613
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
CID 166193330
(2E,4E)-N-[4-(benzimidazol-1-yl)phenyl]hexa-2,4-dienamide
CID 75413355

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide (CID 119834362) is (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide is CC(C)(C)[C@H](N)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is GIGBLTWVEGDZCB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O/c1-19(2,3)17(20)18(24)22-13-8-10-14(11-9-13)23-12-21-15-6-4-5-7-16(15)23/h4-12,17H,20H2,1-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 322.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119834362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).