2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid

C16H23N3O2 — CID 115970980

IUPAC2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid
SMILESCCCc1nc2ccccc2n1CCCC(C)(N)C(=O)O
InChIInChI=1S/C16H23N3O2/c1-3-7-14-18-12-8-4-5-9-13(12)19(14)11-6-10-16(2,17)15(20)21/h4-5,8-9H,3,6-7,10-11,17H2,1-2H3,(H,20,21)
InChIKeyXOQZJBGLDNAKHF-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.57
Rot. Bonds7

About 2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid

2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid (PubChem CID 115970980) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid
PubChem CID115970980
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid
SMILESCCCc1nc2ccccc2n1CCCC(C)(N)C(=O)O
InChIInChI=1S/C16H23N3O2/c1-3-7-14-18-12-8-4-5-9-13(12)19(14)11-6-10-16(2,17)15(20)21/h4-5,8-9H,3,6-7,10-11,17H2,1-2H3,(H,20,21)
InChIKeyXOQZJBGLDNAKHF-UHFFFAOYSA-N
XLogP2.57
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanamide
CID 115970917
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
2-amino-2-ethyl-5-(2-propylbenzimidazol-1-yl)pentanenitrile
CID 106804293
2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
CID 79753577
2-methyl-2-(methylamino)-3-(2-propylbenzimidazol-1-yl)propanoic acid
CID 115970892
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-amino-6-(2-ethylbenzimidazol-1-yl)-2-methylhexan-1-ol
CID 64808784
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
ethyl 4-(1-propylbenzimidazol-2-yl)butanoate
CID 79754222
2-(ethylamino)-2-methyl-4-(2-propylbenzimidazol-1-yl)butan-1-ol
CID 115971235

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid?
The IUPAC name of 2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid (CID 115970980) is 2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid is CCCc1nc2ccccc2n1CCCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid?
The InChIKey is XOQZJBGLDNAKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-7-14-18-12-8-4-5-9-13(12)19(14)11-6-10-16(2,17)15(20)21/h4-5,8-9H,3,6-7,10-11,17H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid?
2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 115970980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).