5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid

C23H23NO2 — CID 159831646

IUPAC5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Cc1ccc2c(ccn2CC2CC2)c1
InChIInChI=1S/C23H23NO2/c25-23(26)21-13-18(17-4-5-17)6-7-19(21)11-16-3-8-22-20(12-16)9-10-24(22)14-15-1-2-15/h3,6-10,12-13,15,17H,1-2,4-5,11,14H2,(H,25,26)
InChIKeyNFRXPVFQCMCXPL-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.22
Rot. Bonds6

About 5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid

5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid (PubChem CID 159831646) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid
PubChem CID159831646
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid
SMILESO=C(O)c1cc(C2CC2)ccc1Cc1ccc2c(ccn2CC2CC2)c1
InChIInChI=1S/C23H23NO2/c25-23(26)21-13-18(17-4-5-17)6-7-19(21)11-16-3-8-22-20(12-16)9-10-24(22)14-15-1-2-15/h3,6-10,12-13,15,17H,1-2,4-5,11,14H2,(H,25,26)
InChIKeyNFRXPVFQCMCXPL-UHFFFAOYSA-N
XLogP5.22
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-2-[(1-phenylindol-5-yl)methyl]benzoic acid;methyl 5-cyclopropyl-2-[(1-phenylindol-5-yl)methyl]benzoate
CID 161345289
5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)methyl]benzoic acid;methyl 5-cyclopropyl-2-[(1-pyridin-3-ylindol-5-yl)methyl]benzoate
CID 158615651
2-[(1-benzylindol-5-yl)methyl]-5-chlorobenzoic acid
CID 157427353
5-cyclopropyl-2-[[1-(2-phenylethyl)indol-5-yl]methyl]pyridine-3-carboxylic acid;1-(2-phenylethyl)indol-5-amine
CID 162134508
[1-(cyclobutylmethyl)indol-5-yl]methanol
CID 117118884
2-[1-(cyclopropylmethyl)indol-5-yl]ethanamine
CID 115106812
methyl 5-cyclopropyl-2-(1H-indol-5-ylmethyl)benzoate;methyl 5-cyclopropyl-2-[[1-(4-methoxyphenyl)indol-5-yl]methyl]benzoate
CID 157162420
2-[1-(cyclopentylmethyl)indol-5-yl]ethanol
CID 115106761
2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid
CID 117118786
5-cyclopropyl-2-[(1-propan-2-ylindol-5-yl)methyl]pyridine-3-carboxylic acid
CID 157373136
5-chloro-2-[[1-(cyclopropylmethyl)indol-5-yl]amino]benzoic acid
CID 90152599
5-cyclopropyl-2-[(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)methyl]benzoic acid;methyl 5-cyclopropyl-2-[(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)methyl]benzoate
CID 160747724

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid?
The IUPAC name of 5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid (CID 159831646) is 5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid.
What is the SMILES notation for 5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid?
The canonical SMILES for 5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid is O=C(O)c1cc(C2CC2)ccc1Cc1ccc2c(ccn2CC2CC2)c1.
What is the InChIKey of 5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid?
The InChIKey is NFRXPVFQCMCXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c25-23(26)21-13-18(17-4-5-17)6-7-19(21)11-16-3-8-22-20(12-16)9-10-24(22)14-15-1-2-15/h3,6-10,12-13,15,17H,1-2,4-5,11,14H2,(H,25,26).
What are the key properties of 5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid?
5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid has a molecular weight of 345.44 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[[1-(cyclopropylmethyl)indol-5-yl]methyl]benzoic acid is sourced from PubChem (CID 159831646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).