5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid

C16H22N2O2 — CID 43446748

IUPAC5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid
SMILESCC(C)(C)n1c(CCCCC(=O)O)nc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-16(2,3)18-13-9-5-4-8-12(13)17-14(18)10-6-7-11-15(19)20/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,19,20)
InChIKeyNNAVHVZGJBFCRK-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.59
Rot. Bonds5

About 5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid

5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid (PubChem CID 43446748) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid
PubChem CID43446748
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid
SMILESCC(C)(C)n1c(CCCCC(=O)O)nc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-16(2,3)18-13-9-5-4-8-12(13)17-14(18)10-6-7-11-15(19)20/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,19,20)
InChIKeyNNAVHVZGJBFCRK-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-tert-butylbenzimidazol-2-yl)propanoic acid
CID 43142589
6-(1-phenylbenzimidazol-2-yl)hexanoic acid
CID 18979139
3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine
CID 43152020
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid
CID 63757796
3-[1-[(S)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]benzimidazol-2-yl]propanoic acid
CID 121336455
4-[3-(dimethylamino)-4-oxoquinazolin-2-yl]butanoic acid
CID 83022728
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-[3-(2-methylbutan-2-yl)-4-oxoquinazolin-2-yl]propanoic acid
CID 61394660
N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 43655437

Frequently Asked Questions

What is the IUPAC name of 5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid?
The IUPAC name of 5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid (CID 43446748) is 5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid.
What is the SMILES notation for 5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid?
The canonical SMILES for 5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid is CC(C)(C)n1c(CCCCC(=O)O)nc2ccccc21.
What is the InChIKey of 5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid?
The InChIKey is NNAVHVZGJBFCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)18-13-9-5-4-8-12(13)17-14(18)10-6-7-11-15(19)20/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,19,20).
What are the key properties of 5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid?
5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid has a molecular weight of 274.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid is sourced from PubChem (CID 43446748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).