6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane

C25H38N4O2 — CID 142169951

IUPAC6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane
SMILESCC.CC.CCN(CC)CCc1ccc2[nH]c(=O)n(C(=O)Nc3cccc(C)c3)c2c1
InChIInChI=1S/C21H26N4O2.2C2H6/c1-4-24(5-2)12-11-16-9-10-18-19(14-16)25(21(27)23-18)20(26)22-17-8-6-7-15(3)13-17;2*1-2/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,22,26)(H,23,27);2*1-2H3
InChIKeyIIVLTMGCARXJSW-UHFFFAOYSA-N
MW426.61 g/mol
LogP5.65
Rot. Bonds6

About 6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane

6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane (PubChem CID 142169951) has the molecular formula C25H38N4O2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane.

Molecular Properties

Compound Name6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane
PubChem CID142169951
Molecular FormulaC25H38N4O2
Molecular Weight426.61 g/mol
Exact Mass426.30
IUPAC Name6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane
SMILESCC.CC.CCN(CC)CCc1ccc2[nH]c(=O)n(C(=O)Nc3cccc(C)c3)c2c1
InChIInChI=1S/C21H26N4O2.2C2H6/c1-4-24(5-2)12-11-16-9-10-18-19(14-16)25(21(27)23-18)20(26)22-17-8-6-7-15(3)13-17;2*1-2/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,22,26)(H,23,27);2*1-2H3
InChIKeyIIVLTMGCARXJSW-UHFFFAOYSA-N
XLogP5.65
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.61
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 61009921
N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108515686
5-amino-N-(4-chlorophenyl)-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide
CID 110874390
N-[4-(butylaminomethyl)phenyl]-5,6-dichloro-2-oxo-3H-benzimidazole-1-carboxamide;hydrochloride
CID 142068065
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3195123
1-(3-bromopropyl)-1-methyl-3-(3-methylphenyl)urea
CID 106441564
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
N-(3-methylphenyl)acetamide
CID 10843
1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
CID 61348548
1-[2-(diethylamino)ethyl]-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea
CID 3174125
N-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-1H-quinolin-7-yl]-4-phenylpiperazine-1-carboxamide
CID 66718604

Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane?
The IUPAC name of 6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane (CID 142169951) is 6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane.
What is the SMILES notation for 6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane?
The canonical SMILES for 6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane is CC.CC.CCN(CC)CCc1ccc2[nH]c(=O)n(C(=O)Nc3cccc(C)c3)c2c1.
What is the InChIKey of 6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane?
The InChIKey is IIVLTMGCARXJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.2C2H6/c1-4-24(5-2)12-11-16-9-10-18-19(14-16)25(21(27)23-18)20(26)22-17-8-6-7-15(3)13-17;2*1-2/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,22,26)(H,23,27);2*1-2H3.
What are the key properties of 6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane?
6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane has a molecular weight of 426.61 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethyl]-N-(3-methylphenyl)-2-oxo-3H-benzimidazole-1-carboxamide;ethane is sourced from PubChem (CID 142169951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).