N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide

C20H21N3O2 — CID 160963880

IUPACN-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCCc1ccccc1CC(=O)CN(C)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H21N3O2/c1-3-14-6-4-5-7-15(14)10-17(24)12-23(2)20(25)16-8-9-18-19(11-16)22-13-21-18/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,22)
InChIKeySXJABYDHXUFZQY-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.01
Rot. Bonds6

About N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide

N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 160963880) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide
PubChem CID160963880
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCCc1ccccc1CC(=O)CN(C)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H21N3O2/c1-3-14-6-4-5-7-15(14)10-17(24)12-23(2)20(25)16-8-9-18-19(11-16)22-13-21-18/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,22)
InChIKeySXJABYDHXUFZQY-UHFFFAOYSA-N
XLogP3.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43582173
N-methyl-N-[(2-methylcyclopropyl)methyl]-3H-benzimidazole-5-carboxamide
CID 63860629
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-3H-benzimidazole-5-carboxamide
CID 24688082
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 29025706
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 115317434
2-[3H-benzimidazole-5-carbonyl(tert-butyl)amino]acetic acid
CID 79265620
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 60651360
1-(3H-benzimidazol-5-yl)-3-(dimethylamino)prop-2-yn-1-one
CID 116825527
1-(3H-benzimidazol-5-yl)-2-(dipropylamino)ethanone
CID 82052598

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide (CID 160963880) is N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide is CCc1ccccc1CC(=O)CN(C)C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is SXJABYDHXUFZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-14-6-4-5-7-15(14)10-17(24)12-23(2)20(25)16-8-9-18-19(11-16)22-13-21-18/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide?
N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylphenyl)-2-oxopropyl]-N-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 160963880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).