N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide

C24H23N3O3 — CID 4284010

IUPACN-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide
SMILESCc1nc2ccccc2n1CC(O)COc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-17-25-22-9-5-6-10-23(22)27(17)15-20(28)16-30-21-13-11-19(12-14-21)26-24(29)18-7-3-2-4-8-18/h2-14,20,28H,15-16H2,1H3,(H,26,29)
InChIKeyXRXAMYQDEXVQMP-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.04
Rot. Bonds7

About N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide

N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide (PubChem CID 4284010) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide
PubChem CID4284010
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide
SMILESCc1nc2ccccc2n1CC(O)COc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-17-25-22-9-5-6-10-23(22)27(17)15-20(28)16-30-21-13-11-19(12-14-21)26-24(29)18-7-3-2-4-8-18/h2-14,20,28H,15-16H2,1H3,(H,26,29)
InChIKeyXRXAMYQDEXVQMP-UHFFFAOYSA-N
XLogP4.04
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide?
The IUPAC name of N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide (CID 4284010) is N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide?
The canonical SMILES for N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide is Cc1nc2ccccc2n1CC(O)COc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide?
The InChIKey is XRXAMYQDEXVQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-25-22-9-5-6-10-23(22)27(17)15-20(28)16-30-21-13-11-19(12-14-21)26-24(29)18-7-3-2-4-8-18/h2-14,20,28H,15-16H2,1H3,(H,26,29).
What are the key properties of N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide?
N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide is sourced from PubChem (CID 4284010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).