3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide

C25H24ClN3O2 — CID 126726286

IUPAC3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C25H24ClN3O2/c1-16(2)27-23(30)17-8-7-11-19(14-17)25(31,18-9-5-4-6-10-18)24-28-21-13-12-20(26)15-22(21)29(24)3/h4-16,31H,1-3H3,(H,27,30)
InChIKeyQGQBIDRZOJTIHK-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.65
Rot. Bonds5

About 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide

3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide (PubChem CID 126726286) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide
PubChem CID126726286
Molecular FormulaC25H24ClN3O2
Molecular Weight433.94 g/mol
Exact Mass433.16
IUPAC Name3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C25H24ClN3O2/c1-16(2)27-23(30)17-8-7-11-19(14-17)25(31,18-9-5-4-6-10-18)24-28-21-13-12-20(26)15-22(21)29(24)3/h4-16,31H,1-3H3,(H,27,30)
InChIKeyQGQBIDRZOJTIHK-UHFFFAOYSA-N
XLogP4.65
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide (CID 126726286) is 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1.
What is the InChIKey of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide?
The InChIKey is QGQBIDRZOJTIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-16(2)27-23(30)17-8-7-11-19(14-17)25(31,18-9-5-4-6-10-18)24-28-21-13-12-20(26)15-22(21)29(24)3/h4-16,31H,1-3H3,(H,27,30).
What are the key properties of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide?
3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide has a molecular weight of 433.94 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 126726286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).