3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid

C15H18N2O2 — CID 82500033

IUPAC3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid
SMILESCc1nc2cc(C(C)CC(=O)O)ccc2n1C1CC1
InChIInChI=1S/C15H18N2O2/c1-9(7-15(18)19)11-3-6-14-13(8-11)16-10(2)17(14)12-4-5-12/h3,6,8-9,12H,4-5,7H2,1-2H3,(H,18,19)
InChIKeyRQOWEUXBCRAMIE-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.26
Rot. Bonds4

About 3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid

3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid (PubChem CID 82500033) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid.

Molecular Properties

Compound Name3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid
PubChem CID82500033
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid
SMILESCc1nc2cc(C(C)CC(=O)O)ccc2n1C1CC1
InChIInChI=1S/C15H18N2O2/c1-9(7-15(18)19)11-3-6-14-13(8-11)16-10(2)17(14)12-4-5-12/h3,6,8-9,12H,4-5,7H2,1-2H3,(H,18,19)
InChIKeyRQOWEUXBCRAMIE-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
CID 82495003
2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid
CID 82500329
3-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82498137
1-cyclopropyl-2-methylbenzimidazole-5-carboxamide
CID 82492875
2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 43322927
6-butan-2-yl-1-cyclobutyl-2-methylbenzimidazole
CID 170981842
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one
CID 96677057
2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-2-methylpropan-1-ol
CID 117362935
2-methyl-1-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549180
1-cyclopropyl-2-methylbenzimidazole-5-carbonitrile
CID 28693642
1-cyclopropyl-5-ethynyl-2-methylbenzimidazole
CID 162380804
3-(2,1-benzoxazol-6-yl)butanoic acid
CID 84778226

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid?
The IUPAC name of 3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid (CID 82500033) is 3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid.
What is the SMILES notation for 3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid?
The canonical SMILES for 3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid is Cc1nc2cc(C(C)CC(=O)O)ccc2n1C1CC1.
What is the InChIKey of 3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid?
The InChIKey is RQOWEUXBCRAMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9(7-15(18)19)11-3-6-14-13(8-11)16-10(2)17(14)12-4-5-12/h3,6,8-9,12H,4-5,7H2,1-2H3,(H,18,19).
What are the key properties of 3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid?
3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyl-2-methylbenzimidazol-5-yl)butanoic acid is sourced from PubChem (CID 82500033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).