2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide

C22H18ClN3O — CID 46328977

IUPAC2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1ccccc1Cl
InChIInChI=1S/C22H18ClN3O/c23-18-9-5-4-8-17(18)22(27)24-16-11-12-19-20(14-16)26-21(25-19)13-10-15-6-2-1-3-7-15/h1-9,11-12,14H,10,13H2,(H,24,27)(H,25,26)
InChIKeyWWVMVHIDYIKFDG-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.25
Rot. Bonds5

About 2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide

2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 46328977) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID46328977
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1ccccc1Cl
InChIInChI=1S/C22H18ClN3O/c23-18-9-5-4-8-17(18)22(27)24-16-11-12-19-20(14-16)26-21(25-19)13-10-15-6-2-1-3-7-15/h1-9,11-12,14H,10,13H2,(H,24,27)(H,25,26)
InChIKeyWWVMVHIDYIKFDG-UHFFFAOYSA-N
XLogP5.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328956
2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328366
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328987
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-phenylacetamide
CID 46290758
N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562173
2-[2-(4-acetamidophenyl)ethyl]-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
CID 46335013
N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019
8-[[2-(chloroamino)-3H-benzimidazol-5-yl]carbamoyl]naphthalene-1-carboxylic acid
CID 88589606
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-phenylacetamide
CID 25066173
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-oxochromene-3-carboxamide
CID 20930875
2-chloro-N-[2-(3-nitrophenyl)-3H-benzimidazol-5-yl]benzamide
CID 69347834

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide (CID 46328977) is 2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide is O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is WWVMVHIDYIKFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c23-18-9-5-4-8-17(18)22(27)24-16-11-12-19-20(14-16)26-21(25-19)13-10-15-6-2-1-3-7-15/h1-9,11-12,14H,10,13H2,(H,24,27)(H,25,26).
What are the key properties of 2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 375.86 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 46328977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).