2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid

C32H28N4O2 — CID 10074709

IUPAC2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCc1nc2c(C)cc(-c3cn4ccccc4n3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C32H28N4O2/c1-3-8-30-34-31-21(2)17-24(27-20-35-16-7-6-11-29(35)33-27)18-28(31)36(30)19-22-12-14-23(15-13-22)25-9-4-5-10-26(25)32(37)38/h4-7,9-18,20H,3,8,19H2,1-2H3,(H,37,38)
InChIKeyYSQMPUWHJFCBQH-UHFFFAOYSA-N
MW500.60 g/mol
LogP7.03
Rot. Bonds7

About 2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid

2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid (PubChem CID 10074709) has the molecular formula C32H28N4O2 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
PubChem CID10074709
Molecular FormulaC32H28N4O2
Molecular Weight500.60 g/mol
Exact Mass500.22
IUPAC Name2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
SMILESCCCc1nc2c(C)cc(-c3cn4ccccc4n3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C32H28N4O2/c1-3-8-30-34-31-21(2)17-24(27-20-35-16-7-6-11-29(35)33-27)18-28(31)36(30)19-22-12-14-23(15-13-22)25-9-4-5-10-26(25)32(37)38/h4-7,9-18,20H,3,8,19H2,1-2H3,(H,37,38)
InChIKeyYSQMPUWHJFCBQH-UHFFFAOYSA-N
XLogP7.03
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid (CID 10074709) is 2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid is CCCc1nc2c(C)cc(-c3cn4ccccc4n3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
The InChIKey is YSQMPUWHJFCBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O2/c1-3-8-30-34-31-21(2)17-24(27-20-35-16-7-6-11-29(35)33-27)18-28(31)36(30)19-22-12-14-23(15-13-22)25-9-4-5-10-26(25)32(37)38/h4-7,9-18,20H,3,8,19H2,1-2H3,(H,37,38).
What are the key properties of 2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid?
2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid has a molecular weight of 500.60 g/mol, XLogP of 7.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid is sourced from PubChem (CID 10074709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).