N-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide

C22H18ClN3O — CID 44567343

IUPACN-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1ccc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C22H18ClN3O/c23-19-9-5-4-8-17(19)12-22(27)25-18-10-11-21-20(13-18)24-15-26(21)14-16-6-2-1-3-7-16/h1-11,13,15H,12,14H2,(H,25,27)
InChIKeyQWUJLIKFVLFZSC-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.92
Rot. Bonds5

About N-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide

N-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide (PubChem CID 44567343) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide
PubChem CID44567343
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC NameN-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1ccc2c(c1)ncn2Cc1ccccc1
InChIInChI=1S/C22H18ClN3O/c23-19-9-5-4-8-17(19)12-22(27)25-18-10-11-21-20(13-18)24-15-26(21)14-16-6-2-1-3-7-16/h1-11,13,15H,12,14H2,(H,25,27)
InChIKeyQWUJLIKFVLFZSC-UHFFFAOYSA-N
XLogP4.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide (CID 44567343) is N-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide is O=C(Cc1ccccc1Cl)Nc1ccc2c(c1)ncn2Cc1ccccc1.
What is the InChIKey of N-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide?
The InChIKey is QWUJLIKFVLFZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c23-19-9-5-4-8-17(19)12-22(27)25-18-10-11-21-20(13-18)24-15-26(21)14-16-6-2-1-3-7-16/h1-11,13,15H,12,14H2,(H,25,27).
What are the key properties of N-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide?
N-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide has a molecular weight of 375.86 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylbenzimidazol-5-yl)-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 44567343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).