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

C22H18ClN3O — CID 46328956

IUPAC4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O/c23-17-9-7-16(8-10-17)22(27)24-18-11-12-19-20(14-18)26-21(25-19)13-6-15-4-2-1-3-5-15/h1-5,7-12,14H,6,13H2,(H,24,27)(H,25,26)
InChIKeyZDMBIGDPVVEXQN-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.25
Rot. Bonds5

About 4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide

4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 46328956) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID46328956
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O/c23-17-9-7-16(8-10-17)22(27)24-18-11-12-19-20(14-18)26-21(25-19)13-6-15-4-2-1-3-5-15/h1-5,7-12,14H,6,13H2,(H,24,27)(H,25,26)
InChIKeyZDMBIGDPVVEXQN-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-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328987
N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019
N-[(4-chlorophenyl)methyl]-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789572
2-[2-(4-acetamidophenyl)ethyl]-N-(3-bromophenyl)-3H-benzimidazole-5-carboxamide
CID 46335025
2-[2-(4-acetamidophenyl)ethyl]-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
CID 46335013
4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide
CID 139827149
N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789623
4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide
CID 119854404
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46290614
N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562173

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide (CID 46328956) is 4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide is O=C(Nc1ccc2nc(CCc3ccccc3)[nH]c2c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is ZDMBIGDPVVEXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c23-17-9-7-16(8-10-17)22(27)24-18-11-12-19-20(14-18)26-21(25-19)13-6-15-4-2-1-3-5-15/h1-5,7-12,14H,6,13H2,(H,24,27)(H,25,26).
What are the key properties of 4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
4-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 4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 46328956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).