4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid

C18H18N2O2 — CID 15129920

IUPAC4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid
SMILESCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H18N2O2/c1-2-5-17-19-15-6-3-4-7-16(15)20(17)12-13-8-10-14(11-9-13)18(21)22/h3-4,6-11H,2,5,12H2,1H3,(H,21,22)
InChIKeyPBNUDKSNPPOLGF-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.74
Rot. Bonds5

About 4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid

4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid (PubChem CID 15129920) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid
PubChem CID15129920
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid
SMILESCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H18N2O2/c1-2-5-17-19-15-6-3-4-7-16(15)20(17)12-13-8-10-14(11-9-13)18(21)22/h3-4,6-11H,2,5,12H2,1H3,(H,21,22)
InChIKeyPBNUDKSNPPOLGF-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid?
The IUPAC name of 4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid (CID 15129920) is 4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid is CCCc1nc2ccccc2n1Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid?
The InChIKey is PBNUDKSNPPOLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-2-5-17-19-15-6-3-4-7-16(15)20(17)12-13-8-10-14(11-9-13)18(21)22/h3-4,6-11H,2,5,12H2,1H3,(H,21,22).
What are the key properties of 4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid?
4-[(2-propylbenzimidazol-1-yl)methyl]benzoic acid has a molecular weight of 294.35 g/mol, XLogP of 3.74, 5 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)methyl]benzoic acid is sourced from PubChem (CID 15129920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).