2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid

C18H17FN2O2 — CID 94742947

IUPAC2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid
SMILESCCCn1c(-c2cccc(F)c2)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C18H17FN2O2/c1-2-8-21-16-7-6-12(10-17(22)23)9-15(16)20-18(21)13-4-3-5-14(19)11-13/h3-7,9,11H,2,8,10H2,1H3,(H,22,23)
InChIKeyFBSBUCBDMAKDPH-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.88
Rot. Bonds5

About 2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid

2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid (PubChem CID 94742947) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid
PubChem CID94742947
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid
SMILESCCCn1c(-c2cccc(F)c2)nc2cc(CC(=O)O)ccc21
InChIInChI=1S/C18H17FN2O2/c1-2-8-21-16-7-6-12(10-17(22)23)9-15(16)20-18(21)13-4-3-5-14(19)11-13/h3-7,9,11H,2,8,10H2,1H3,(H,22,23)
InChIKeyFBSBUCBDMAKDPH-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-2-phenylbenzimidazol-5-yl)acetic acid
CID 82142076
2-(3-fluorophenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040309
2-[2-(2-methoxyphenyl)-1-propylbenzimidazol-5-yl]acetic acid
CID 82142105
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
2-(2-cyclohexyl-1-propylbenzimidazol-5-yl)acetic acid
CID 82142102
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142040
2-[2-(3-chlorophenyl)-1-propan-2-ylbenzimidazol-5-yl]acetic acid
CID 82142151
5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 60784700
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
2-[5,6-dichloro-2-(3-fluorophenyl)benzimidazol-1-yl]ethanol
CID 82149458
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid (CID 94742947) is 2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid is CCCn1c(-c2cccc(F)c2)nc2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid?
The InChIKey is FBSBUCBDMAKDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-2-8-21-16-7-6-12(10-17(22)23)9-15(16)20-18(21)13-4-3-5-14(19)11-13/h3-7,9,11H,2,8,10H2,1H3,(H,22,23).
What are the key properties of 2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid?
2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid has a molecular weight of 312.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-1-propylbenzimidazol-5-yl]acetic acid is sourced from PubChem (CID 94742947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).