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

C24H22ClN3O2 — CID 118515916

IUPAC3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C24H22ClN3O2/c1-3-26-22(29)16-8-7-11-18(14-16)24(30,17-9-5-4-6-10-17)23-27-20-13-12-19(25)15-21(20)28(23)2/h4-15,30H,3H2,1-2H3,(H,26,29)
InChIKeyFBHLLFHULGJEOS-UHFFFAOYSA-N
MW419.91 g/mol
LogP4.26
Rot. Bonds5

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

3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-ethylbenzamide (PubChem CID 118515916) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-ethylbenzamide
PubChem CID118515916
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC Name3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1
InChIInChI=1S/C24H22ClN3O2/c1-3-26-22(29)16-8-7-11-18(14-16)24(30,17-9-5-4-6-10-17)23-27-20-13-12-19(25)15-21(20)28(23)2/h4-15,30H,3H2,1-2H3,(H,26,29)
InChIKeyFBHLLFHULGJEOS-UHFFFAOYSA-N
XLogP4.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 54.26
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-ethylbenzamide?
The IUPAC name of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-ethylbenzamide (CID 118515916) is 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-ethylbenzamide?
The canonical SMILES for 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-ethylbenzamide is CCNC(=O)c1cccc(C(O)(c2ccccc2)c2nc3ccc(Cl)cc3n2C)c1.
What is the InChIKey of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-ethylbenzamide?
The InChIKey is FBHLLFHULGJEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c1-3-26-22(29)16-8-7-11-18(14-16)24(30,17-9-5-4-6-10-17)23-27-20-13-12-19(25)15-21(20)28(23)2/h4-15,30H,3H2,1-2H3,(H,26,29).
What are the key properties of 3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-ethylbenzamide?
3-[(6-chloro-1-methylbenzimidazol-2-yl)-hydroxy-phenylmethyl]-N-ethylbenzamide has a molecular weight of 419.91 g/mol, XLogP of 4.26, 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-ethylbenzamide is sourced from PubChem (CID 118515916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).