N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide

C22H21N3O3 — CID 46993360

IUPACN-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESCCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C22H21N3O3/c1-3-25(11-10-21-23-16-9-8-14(2)12-17(16)24-21)22(27)20-13-18(26)15-6-4-5-7-19(15)28-20/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,24)
InChIKeyOXIFCLFEUJJGGW-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.68
Rot. Bonds5

About N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide

N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide (PubChem CID 46993360) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide
PubChem CID46993360
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESCCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C22H21N3O3/c1-3-25(11-10-21-23-16-9-8-14(2)12-17(16)24-21)22(27)20-13-18(26)15-6-4-5-7-19(15)28-20/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,24)
InChIKeyOXIFCLFEUJJGGW-UHFFFAOYSA-N
XLogP3.68
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 58074753
(2S)-2-amino-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylsulfanylbutanamide
CID 46995178
2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 50970037
2-(2,5-dioxoimidazolidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 91766350
N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50964140
(3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95872570
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
N-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 41110086
1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone
CID 46996454
6-methyl-2-(6-phenylhexyl)-1H-benzimidazole
CID 139625761
N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 91783336
(2S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99933785

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide (CID 46993360) is N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide is CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is OXIFCLFEUJJGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-3-25(11-10-21-23-16-9-8-14(2)12-17(16)24-21)22(27)20-13-18(26)15-6-4-5-7-19(15)28-20/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,24).
What are the key properties of N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide?
N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 46993360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).