(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide

C19H22N4O — CID 119834374

IUPAC(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H22N4O/c1-13(2)11-16(20)19(24)22-14-7-9-15(10-8-14)23-12-21-17-5-3-4-6-18(17)23/h3-10,12-13,16H,11,20H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyUXONQWBKVRFZDM-INIZCTEOSA-N
MW322.41 g/mol
LogP3.34
Rot. Bonds5

About (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide

(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide (PubChem CID 119834374) 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]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
PubChem CID119834374
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H22N4O/c1-13(2)11-16(20)19(24)22-14-7-9-15(10-8-14)23-12-21-17-5-3-4-6-18(17)23/h3-10,12-13,16H,11,20H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyUXONQWBKVRFZDM-INIZCTEOSA-N
XLogP3.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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]-3,3-dimethylbutanamide
CID 119834362
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
3-[4-(benzimidazol-1-yl)phenyl]-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1-methylurea
CID 125174000
3-[4-(benzimidazol-1-yl)phenyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylurea
CID 125174001
2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
CID 166193330
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide
CID 60553883
methyl 2-[2-[[4-(benzimidazol-1-yl)phenyl]carbamoyl]phenyl]sulfanylpropanoate
CID 60528401
1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 118772871

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide (CID 119834374) is (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide 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]-4-methylpentanamide?
The InChIKey is UXONQWBKVRFZDM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)11-16(20)19(24)22-14-7-9-15(10-8-14)23-12-21-17-5-3-4-6-18(17)23/h3-10,12-13,16H,11,20H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide?
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide has a molecular weight of 322.41 g/mol, XLogP of 3.34, 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-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 119834374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).