N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide

C20H23N3O — CID 19840405

IUPACN-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide
SMILESCC(=O)NCC(C)(C)c1ccc2nc(-c3ccc(C)cc3)[nH]c2c1
InChIInChI=1S/C20H23N3O/c1-13-5-7-15(8-6-13)19-22-17-10-9-16(11-18(17)23-19)20(3,4)12-21-14(2)24/h5-11H,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyPAXPGBGDEWMECK-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.95
Rot. Bonds4

About N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide

N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide (PubChem CID 19840405) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide
PubChem CID19840405
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide
SMILESCC(=O)NCC(C)(C)c1ccc2nc(-c3ccc(C)cc3)[nH]c2c1
InChIInChI=1S/C20H23N3O/c1-13-5-7-15(8-6-13)19-22-17-10-9-16(11-18(17)23-19)20(3,4)12-21-14(2)24/h5-11H,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyPAXPGBGDEWMECK-UHFFFAOYSA-N
XLogP3.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578594
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690183
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
CID 90145481
N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
N-[2-[[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]methylamino]ethyl]acetamide
CID 170535613
N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731266
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[1,1,1-trifluoro-2-(2-methyl-3H-benzimidazol-5-yl)propan-2-yl]-1H-benzimidazole
CID 157210759
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide
CID 19840426
N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 4915116

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide?
The IUPAC name of N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide (CID 19840405) is N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide.
What is the SMILES notation for N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide?
The canonical SMILES for N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide is CC(=O)NCC(C)(C)c1ccc2nc(-c3ccc(C)cc3)[nH]c2c1.
What is the InChIKey of N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide?
The InChIKey is PAXPGBGDEWMECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13-5-7-15(8-6-13)19-22-17-10-9-16(11-18(17)23-19)20(3,4)12-21-14(2)24/h5-11H,12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide?
N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide has a molecular weight of 321.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]propyl]acetamide is sourced from PubChem (CID 19840405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).