(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide

C16H24N4O — CID 61274419

IUPAC(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
SMILESCc1nc2ccccc2n1CCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C16H24N4O/c1-11(2)10-13(17)16(21)18-8-9-20-12(3)19-14-6-4-5-7-15(14)20/h4-7,11,13H,8-10,17H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyWJKYPUVFLSDZGM-ZDUSSCGKSA-N
MW288.39 g/mol
LogP1.83
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide

(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide (PubChem CID 61274419) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
PubChem CID61274419
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
SMILESCc1nc2ccccc2n1CCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C16H24N4O/c1-11(2)10-13(17)16(21)18-8-9-20-12(3)19-14-6-4-5-7-15(14)20/h4-7,11,13H,8-10,17H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyWJKYPUVFLSDZGM-ZDUSSCGKSA-N
XLogP1.83
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 104684754
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111454104
2-benzylsulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 55775708
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(2-methylpropyl)guanidine;hydroiodide
CID 111178831
ethyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]propanoate
CID 46287068
N-[1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51302369
3-(ethylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 62839430

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide (CID 61274419) is (2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide is Cc1nc2ccccc2n1CCNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide?
The InChIKey is WJKYPUVFLSDZGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)10-13(17)16(21)18-8-9-20-12(3)19-14-6-4-5-7-15(14)20/h4-7,11,13H,8-10,17H2,1-3H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide?
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide has a molecular weight of 288.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide is sourced from PubChem (CID 61274419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).