2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid

C15H21N3O2 — CID 115970892

IUPAC2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid
SMILESCCCc1nc2ccccc2n1CC(C)(NC)C(=O)O
InChIInChI=1S/C15H21N3O2/c1-4-7-13-17-11-8-5-6-9-12(11)18(13)10-15(2,16-3)14(19)20/h5-6,8-9,16H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyXJDDKYIXZDXDHZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.05
Rot. Bonds6

About 2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid

2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid (PubChem CID 115970892) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid
PubChem CID115970892
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid
SMILESCCCc1nc2ccccc2n1CC(C)(NC)C(=O)O
InChIInChI=1S/C15H21N3O2/c1-4-7-13-17-11-8-5-6-9-12(11)18(13)10-15(2,16-3)14(19)20/h5-6,8-9,16H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyXJDDKYIXZDXDHZ-UHFFFAOYSA-N
XLogP2.05
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-ethylbenzimidazol-1-yl)-2-methyl-2-(methylamino)propanoate
CID 63106914
2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid
CID 115970980
2-cyclopropyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propan-1-ol
CID 115971231
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
CID 79753577
1-benzyl-2-propylbenzimidazole
CID 764560
3-[(2-propylbenzimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 115578490
N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 115569298
N-[2-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 110932441
2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanamide
CID 115970917
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one
CID 112632250

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid (CID 115970892) is 2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid is CCCc1nc2ccccc2n1CC(C)(NC)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid?
The InChIKey is XJDDKYIXZDXDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-7-13-17-11-8-5-6-9-12(11)18(13)10-15(2,16-3)14(19)20/h5-6,8-9,16H,4,7,10H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid?
2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 115970892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).