4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid

C14H16N2O3 — CID 117404661

IUPAC4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C14H16N2O3/c17-13(18)3-1-2-9-4-7-12-11(8-9)15-14(19)16(12)10-5-6-10/h4,7-8,10H,1-3,5-6H2,(H,15,19)(H,17,18)
InChIKeyNNNUOMZPENLZEZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.07
Rot. Bonds5

About 4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid

4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid (PubChem CID 117404661) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid
PubChem CID117404661
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid
SMILESO=C(O)CCCc1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C14H16N2O3/c17-13(18)3-1-2-9-4-7-12-11(8-9)15-14(19)16(12)10-5-6-10/h4,7-8,10H,1-3,5-6H2,(H,15,19)(H,17,18)
InChIKeyNNNUOMZPENLZEZ-UHFFFAOYSA-N
XLogP2.07
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-6-(hydroxymethyl)-1H-benzimidazol-2-one
CID 84672284
4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid
CID 117410283
3-cyclopropyl-6-ethyl-1H-benzimidazol-2-one
CID 67559926
6-(2-amino-2-methylpropyl)-3-cyclopropyl-1H-benzimidazol-2-one
CID 117365661
3-amino-2-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid
CID 117407033
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
1-[4-(benzylamino)cyclohexyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 22558089
3-(1,1-dioxothian-4-yl)-6-hydroxy-1H-benzimidazol-2-one
CID 117207061
4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid
CID 117401771
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid?
The IUPAC name of 4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid (CID 117404661) is 4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid.
What is the SMILES notation for 4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid?
The canonical SMILES for 4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid is O=C(O)CCCc1ccc2c(c1)[nH]c(=O)n2C1CC1.
What is the InChIKey of 4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid?
The InChIKey is NNNUOMZPENLZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13(18)3-1-2-9-4-7-12-11(8-9)15-14(19)16(12)10-5-6-10/h4,7-8,10H,1-3,5-6H2,(H,15,19)(H,17,18).
What are the key properties of 4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid?
4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-2-oxo-3H-benzimidazol-5-yl)butanoic acid is sourced from PubChem (CID 117404661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).