3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one

C20H20N4O2 — CID 54453856

IUPAC3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one
SMILESCCN(CC)c1ccc2cc(Nc3nc4ccccc4[nH]3)c(=O)oc2c1
InChIInChI=1S/C20H20N4O2/c1-3-24(4-2)14-10-9-13-11-17(19(25)26-18(13)12-14)23-20-21-15-7-5-6-8-16(15)22-20/h5-12H,3-4H2,1-2H3,(H2,21,22,23)
InChIKeyWWUTUGQAGKWSDD-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.26
Rot. Bonds5

About 3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one

3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one (PubChem CID 54453856) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one
PubChem CID54453856
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one
SMILESCCN(CC)c1ccc2cc(Nc3nc4ccccc4[nH]3)c(=O)oc2c1
InChIInChI=1S/C20H20N4O2/c1-3-24(4-2)14-10-9-13-11-17(19(25)26-18(13)12-14)23-20-21-15-7-5-6-8-16(15)22-20/h5-12H,3-4H2,1-2H3,(H2,21,22,23)
InChIKeyWWUTUGQAGKWSDD-UHFFFAOYSA-N
XLogP4.26
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
CID 146405991
3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one
CID 88718489
3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one
CID 142605433
4-[[7-(diethylamino)-2-oxochromen-3-yl]amino]-4-oxobutanoic acid
CID 3243384
7-(diethylamino)-3-quinazolin-4-ylchromen-2-one
CID 169224187
7-(diethylamino)-3-[(E)-2-quinolin-2-ylethenyl]chromen-2-one
CID 15686898
3-[[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]-ethylamino]propanoic acid
CID 10959752
7-(diethylamino)-3-(dimethylamino)chromen-2-one
CID 71412900
3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one
CID 147955054
3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-(4-iodophenyl)iminochromen-7-amine
CID 102431222
2-[7-(diethylamino)-2-oxochromen-3-yl]-3H-benzimidazole-5-sulfonic acid
CID 137458930
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one (CID 54453856) is 3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one is CCN(CC)c1ccc2cc(Nc3nc4ccccc4[nH]3)c(=O)oc2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one?
The InChIKey is WWUTUGQAGKWSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-24(4-2)14-10-9-13-11-17(19(25)26-18(13)12-14)23-20-21-15-7-5-6-8-16(15)22-20/h5-12H,3-4H2,1-2H3,(H2,21,22,23).
What are the key properties of 3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one?
3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one has a molecular weight of 348.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one is sourced from PubChem (CID 54453856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).