2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid

C14H19N3O2 — CID 82359757

IUPAC2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid
SMILESCCCNc1nc2ccccc2n1C(C)(C)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-4-9-15-13-16-10-7-5-6-8-11(10)17(13)14(2,3)12(18)19/h5-8H,4,9H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyOQQBWXUVIWEZSE-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.68
Rot. Bonds5

About 2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid

2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid (PubChem CID 82359757) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid
PubChem CID82359757
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid
SMILESCCCNc1nc2ccccc2n1C(C)(C)C(=O)O
InChIInChI=1S/C14H19N3O2/c1-4-9-15-13-16-10-7-5-6-8-11(10)17(13)14(2,3)12(18)19/h5-8H,4,9H2,1-3H3,(H,15,16)(H,18,19)
InChIKeyOQQBWXUVIWEZSE-UHFFFAOYSA-N
XLogP2.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
CID 82359602
2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
CID 82144552
ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate
CID 82359735
2-hydroxy-2-methyl-3-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 122060919
2-methyl-2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83841073
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
N-benzyl-2-[2-(butylamino)benzimidazol-1-yl]acetamide
CID 4884614
2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid
CID 115970892
3-acetamido-N-(1-tert-butylbenzimidazol-2-yl)propanamide
CID 51093634
2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
CID 79753577
3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide
CID 2852129
2-N-ethylbenzimidazole-1,2-diamine
CID 45078021

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid (CID 82359757) is 2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid is CCCNc1nc2ccccc2n1C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid?
The InChIKey is OQQBWXUVIWEZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-9-15-13-16-10-7-5-6-8-11(10)17(13)14(2,3)12(18)19/h5-8H,4,9H2,1-3H3,(H,15,16)(H,18,19).
What are the key properties of 2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid?
2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(propylamino)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 82359757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).