N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide

C21H20N4O — CID 90878232

IUPACN-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide
SMILESCCc1ccc(-c2nc3c(C(=O)NC4=CCCC=N4)cccc3[nH]2)cc1
InChIInChI=1S/C21H20N4O/c1-2-14-9-11-15(12-10-14)20-23-17-7-5-6-16(19(17)25-20)21(26)24-18-8-3-4-13-22-18/h5-13H,2-4H2,1H3,(H,23,25)(H,24,26)
InChIKeyGFHQMRIJKYYHQW-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.23
Rot. Bonds4

About N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide

N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 90878232) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide
PubChem CID90878232
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide
SMILESCCc1ccc(-c2nc3c(C(=O)NC4=CCCC=N4)cccc3[nH]2)cc1
InChIInChI=1S/C21H20N4O/c1-2-14-9-11-15(12-10-14)20-23-17-7-5-6-16(19(17)25-20)21(26)24-18-8-3-4-13-22-18/h5-13H,2-4H2,1H3,(H,23,25)(H,24,26)
InChIKeyGFHQMRIJKYYHQW-UHFFFAOYSA-N
XLogP4.23
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydropyridin-6-yl)-4-ethylbenzamide
CID 71168215
N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane
CID 157227610
N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 18685970
2-(4-ethoxyphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63030910
2-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide
CID 24825799
methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
CID 115357533
2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide
CID 175537952
methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357707
4-ethyl-N-[4-[2-[4-[2-(4-ethylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]ethoxy]phenyl]benzamide
CID 11664203
methyl 4-(4-bromo-1H-benzimidazol-2-yl)benzoate
CID 166067422
N-(2-fluorophenyl)-2-(3,4,5-trihydroxyphenyl)-1H-benzimidazole-4-carboxamide
CID 135936848
2-methyl-N-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]propan-1-amine
CID 44524672

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide (CID 90878232) is N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide is CCc1ccc(-c2nc3c(C(=O)NC4=CCCC=N4)cccc3[nH]2)cc1.
What is the InChIKey of N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is GFHQMRIJKYYHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-2-14-9-11-15(12-10-14)20-23-17-7-5-6-16(19(17)25-20)21(26)24-18-8-3-4-13-22-18/h5-13H,2-4H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide?
N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 90878232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).