2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid

C15H20N2O2 — CID 79753577

IUPAC2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
SMILESCCCn1c(CC(C)(C)C(=O)O)nc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-4-9-17-12-8-6-5-7-11(12)16-13(17)10-15(2,3)14(18)19/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyZBAKIGHYILSMKX-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.10
Rot. Bonds5

About 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid

2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid (PubChem CID 79753577) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
PubChem CID79753577
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
SMILESCCCn1c(CC(C)(C)C(=O)O)nc2ccccc21
InChIInChI=1S/C15H20N2O2/c1-4-9-17-12-8-6-5-7-11(12)16-13(17)10-15(2,3)14(18)19/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyZBAKIGHYILSMKX-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 79754432
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754393
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid
CID 115970980
2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 112565050
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol
CID 79753325
3-(1-ethylbenzimidazol-2-yl)-2,2-difluoropropanoic acid
CID 79753743
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
3-hydroxy-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 103453160
3-methylsulfonyl-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 115781898

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid (CID 79753577) is 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid is CCCn1c(CC(C)(C)C(=O)O)nc2ccccc21.
What is the InChIKey of 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid?
The InChIKey is ZBAKIGHYILSMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-9-17-12-8-6-5-7-11(12)16-13(17)10-15(2,3)14(18)19/h5-8H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid?
2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid has a molecular weight of 260.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid is sourced from PubChem (CID 79753577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).