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

C23H21N3O — CID 46328967

IUPAC4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C23H21N3O/c1-16-7-10-18(11-8-16)23(27)24-19-12-13-20-21(15-19)26-22(25-20)14-9-17-5-3-2-4-6-17/h2-8,10-13,15H,9,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyNOUIFOJZKIVLKF-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.91
Rot. Bonds5

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

4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 46328967) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID46328967
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)cc1
InChIInChI=1S/C23H21N3O/c1-16-7-10-18(11-8-16)23(27)24-19-12-13-20-21(15-19)26-22(25-20)14-9-17-5-3-2-4-6-17/h2-8,10-13,15H,9,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyNOUIFOJZKIVLKF-UHFFFAOYSA-N
XLogP4.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.91
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
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328987
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-phenylacetamide
CID 46290758
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]propanamide
CID 50785748
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
2-chloro-N-[3-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328366
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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide (CID 46328967) is 4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide is Cc1ccc(C(=O)Nc2ccc3nc(CCc4ccccc4)[nH]c3c2)cc1.
What is the InChIKey of 4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is NOUIFOJZKIVLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16-7-10-18(11-8-16)23(27)24-19-12-13-20-21(15-19)26-22(25-20)14-9-17-5-3-2-4-6-17/h2-8,10-13,15H,9,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide?
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 46328967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).