N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide

C20H22N4O — CID 167767065

IUPACN-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide
SMILESCCc1cc(NC(=O)C2CCc3c(ncn3C)C2)c2ccccc2n1
InChIInChI=1S/C20H22N4O/c1-3-14-11-17(15-6-4-5-7-16(15)22-14)23-20(25)13-8-9-19-18(10-13)21-12-24(19)2/h4-7,11-13H,3,8-10H2,1-2H3,(H,22,23,25)
InChIKeyZAMGQQYIUXOUEP-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.27
Rot. Bonds3

About N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide

N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide (PubChem CID 167767065) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide
PubChem CID167767065
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide
SMILESCCc1cc(NC(=O)C2CCc3c(ncn3C)C2)c2ccccc2n1
InChIInChI=1S/C20H22N4O/c1-3-14-11-17(15-6-4-5-7-16(15)22-14)23-20(25)13-8-9-19-18(10-13)21-12-24(19)2/h4-7,11-13H,3,8-10H2,1-2H3,(H,22,23,25)
InChIKeyZAMGQQYIUXOUEP-UHFFFAOYSA-N
XLogP3.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(2-ethylquinolin-4-yl)azetidine-1-carboxamide
CID 128543542
(Z)-2-[5-[(2-butoxyphenyl)carbamoyl]-4,5,6,7-tetrahydrobenzimidazol-1-yl]but-2-enedioic acid
CID 70358851
2-(1,1-dioxothiolan-3-yl)-N-(2-ethylquinolin-4-yl)acetamide
CID 75521076
2-(2,4-dioxo-1,3-diazinan-1-yl)-N-(2-ethylquinolin-4-yl)acetamide
CID 122143050
1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carbonyl chloride
CID 10821839
N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 75518287
1-(2-ethylquinolin-4-yl)-3-[2-(3-methyl-2-pyridinyl)ethyl]urea
CID 146095631
1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133402580
2-[(2-ethylquinolin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 133402118
1-(2-ethylquinolin-4-yl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 124728310
1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 11317629
2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133400414

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide?
The IUPAC name of N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide (CID 167767065) is N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide is CCc1cc(NC(=O)C2CCc3c(ncn3C)C2)c2ccccc2n1.
What is the InChIKey of N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide?
The InChIKey is ZAMGQQYIUXOUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-14-11-17(15-6-4-5-7-16(15)22-14)23-20(25)13-8-9-19-18(10-13)21-12-24(19)2/h4-7,11-13H,3,8-10H2,1-2H3,(H,22,23,25).
What are the key properties of N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide?
N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylquinolin-4-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 167767065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).