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

C23H20ClN3O2 — CID 126726288

IUPAC3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C23H20ClN3O2/c1-25-21(28)15-7-6-10-17(13-15)23(29,16-8-4-3-5-9-16)22-26-19-12-11-18(24)14-20(19)27(22)2/h3-14,29H,1-2H3,(H,25,28)
InChIKeyWBJXJKJMBCJUJZ-UHFFFAOYSA-N
MW405.89 g/mol
LogP3.87
Rot. Bonds4

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

3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide (PubChem CID 126726288) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide
PubChem CID126726288
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C23H20ClN3O2/c1-25-21(28)15-7-6-10-17(13-15)23(29,16-8-4-3-5-9-16)22-26-19-12-11-18(24)14-20(19)27(22)2/h3-14,29H,1-2H3,(H,25,28)
InChIKeyWBJXJKJMBCJUJZ-UHFFFAOYSA-N
XLogP3.87
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 53.87
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-methylbenzamide?
The IUPAC name of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide (CID 126726288) is 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide?
The canonical SMILES for 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide is CNC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1.
What is the InChIKey of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide?
The InChIKey is WBJXJKJMBCJUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-25-21(28)15-7-6-10-17(13-15)23(29,16-8-4-3-5-9-16)22-26-19-12-11-18(24)14-20(19)27(22)2/h3-14,29H,1-2H3,(H,25,28).
What are the key properties of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide?
3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-methylbenzamide has a molecular weight of 405.89 g/mol, XLogP of 3.87, 4 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-methylbenzamide is sourced from PubChem (CID 126726288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).