2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate

C32H25N4O2- — CID 19964670

IUPAC2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate
SMILESCc1cc(-c2cn3ccccc3n2)cc2c1nc(C1CC1)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C32H26N4O2/c1-20-16-24(27-19-35-15-5-4-8-29(35)33-27)17-28-30(20)34-31(23-13-14-23)36(28)18-21-9-11-22(12-10-21)25-6-2-3-7-26(25)32(37)38/h2-12,15-17,19,23H,13-14,18H2,1H3,(H,37,38)/p-1
InChIKeyVMCKNOFCTMWNRH-UHFFFAOYSA-M
MW497.58 g/mol
LogP5.62
Rot. Bonds6

About 2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate

2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate (PubChem CID 19964670) has the molecular formula C32H25N4O2- and a molecular weight of 497.58 g/mol. Its IUPAC name is 2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate.

Molecular Properties

Compound Name2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate
PubChem CID19964670
Molecular FormulaC32H25N4O2-
Molecular Weight497.58 g/mol
Exact Mass497.20
IUPAC Name2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate
SMILESCc1cc(-c2cn3ccccc3n2)cc2c1nc(C1CC1)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1
InChIInChI=1S/C32H26N4O2/c1-20-16-24(27-19-35-15-5-4-8-29(35)33-27)17-28-30(20)34-31(23-13-14-23)36(28)18-21-9-11-22(12-10-21)25-6-2-3-7-26(25)32(37)38/h2-12,15-17,19,23H,13-14,18H2,1H3,(H,37,38)/p-1
InChIKeyVMCKNOFCTMWNRH-UHFFFAOYSA-M
XLogP5.62
TPSA75.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.58
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate?
The IUPAC name of 2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate (CID 19964670) is 2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate.
What is the SMILES notation for 2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate?
The canonical SMILES for 2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate is Cc1cc(-c2cn3ccccc3n2)cc2c1nc(C1CC1)n2Cc1ccc(-c2ccccc2C(=O)[O-])cc1.
What is the InChIKey of 2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate?
The InChIKey is VMCKNOFCTMWNRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H26N4O2/c1-20-16-24(27-19-35-15-5-4-8-29(35)33-27)17-28-30(20)34-31(23-13-14-23)36(28)18-21-9-11-22(12-10-21)25-6-2-3-7-26(25)32(37)38/h2-12,15-17,19,23H,13-14,18H2,1H3,(H,37,38)/p-1.
What are the key properties of 2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate?
2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate has a molecular weight of 497.58 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclopropyl-6-imidazo[1,2-a]pyridin-2-yl-4-methylbenzimidazol-1-yl)methyl]phenyl]benzoate is sourced from PubChem (CID 19964670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).