4-(2-propylbenzimidazol-1-yl)butanoic acid

C14H18N2O2 — CID 46784588

IUPAC4-(2-propylbenzimidazol-1-yl)butanoic acid
SMILESCCCc1nc2ccccc2n1CCCC(=O)O
InChIInChI=1S/C14H18N2O2/c1-2-6-13-15-11-7-3-4-8-12(11)16(13)10-5-9-14(17)18/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,18)
InChIKeyTXODLGOCHTUQMA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.85
Rot. Bonds6

About 4-(2-propylbenzimidazol-1-yl)butanoic acid

4-(2-propylbenzimidazol-1-yl)butanoic acid (PubChem CID 46784588) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2-propylbenzimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-propylbenzimidazol-1-yl)butanoic acid
PubChem CID46784588
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(2-propylbenzimidazol-1-yl)butanoic acid
SMILESCCCc1nc2ccccc2n1CCCC(=O)O
InChIInChI=1S/C14H18N2O2/c1-2-6-13-15-11-7-3-4-8-12(11)16(13)10-5-9-14(17)18/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,18)
InChIKeyTXODLGOCHTUQMA-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanoic acid
CID 115970980
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
1-(3-methylbut-3-enyl)-2-propylbenzimidazole
CID 114476798
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
CID 82144764
2-amino-2-methyl-5-(2-propylbenzimidazol-1-yl)pentanamide
CID 115970917
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
4-[2-(benzimidazol-1-ylmethyl)benzimidazol-1-yl]butanoic acid
CID 142757356
1-pent-4-ynyl-2-propylbenzimidazole
CID 113374435

Frequently Asked Questions

What is the IUPAC name of 4-(2-propylbenzimidazol-1-yl)butanoic acid?
The IUPAC name of 4-(2-propylbenzimidazol-1-yl)butanoic acid (CID 46784588) is 4-(2-propylbenzimidazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(2-propylbenzimidazol-1-yl)butanoic acid?
The canonical SMILES for 4-(2-propylbenzimidazol-1-yl)butanoic acid is CCCc1nc2ccccc2n1CCCC(=O)O.
What is the InChIKey of 4-(2-propylbenzimidazol-1-yl)butanoic acid?
The InChIKey is TXODLGOCHTUQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-6-13-15-11-7-3-4-8-12(11)16(13)10-5-9-14(17)18/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,17,18).
What are the key properties of 4-(2-propylbenzimidazol-1-yl)butanoic acid?
4-(2-propylbenzimidazol-1-yl)butanoic acid has a molecular weight of 246.31 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propylbenzimidazol-1-yl)butanoic acid is sourced from PubChem (CID 46784588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).