4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride

C19H21ClN2O2 — CID 67717536

IUPAC4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride
SMILESCCCCc1nc2ccccn2c1-c1ccc(C(=O)O)c(C)c1.Cl
InChIInChI=1S/C19H20N2O2.ClH/c1-3-4-7-16-18(21-11-6-5-8-17(21)20-16)14-9-10-15(19(22)23)13(2)12-14;/h5-6,8-12H,3-4,7H2,1-2H3,(H,22,23);1H
InChIKeyLNPQWPXEPBBTSS-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.77
Rot. Bonds5

About 4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride

4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride (PubChem CID 67717536) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride.

Molecular Properties

Compound Name4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride
PubChem CID67717536
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride
SMILESCCCCc1nc2ccccn2c1-c1ccc(C(=O)O)c(C)c1.Cl
InChIInChI=1S/C19H20N2O2.ClH/c1-3-4-7-16-18(21-11-6-5-8-17(21)20-16)14-9-10-15(19(22)23)13(2)12-14;/h5-6,8-12H,3-4,7H2,1-2H3,(H,22,23);1H
InChIKeyLNPQWPXEPBBTSS-UHFFFAOYSA-N
XLogP4.77
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride?
The IUPAC name of 4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride (CID 67717536) is 4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride.
What is the SMILES notation for 4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride?
The canonical SMILES for 4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride is CCCCc1nc2ccccn2c1-c1ccc(C(=O)O)c(C)c1.Cl.
What is the InChIKey of 4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride?
The InChIKey is LNPQWPXEPBBTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2.ClH/c1-3-4-7-16-18(21-11-6-5-8-17(21)20-16)14-9-10-15(19(22)23)13(2)12-14;/h5-6,8-12H,3-4,7H2,1-2H3,(H,22,23);1H.
What are the key properties of 4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride?
4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butylimidazo[1,2-a]pyridin-3-yl)-2-methylbenzoic acid;hydrochloride is sourced from PubChem (CID 67717536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).