3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one

C22H19N3O2 — CID 88718489

IUPAC3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one
SMILESC=CCN(CC=C)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
InChIInChI=1S/C22H19N3O2/c1-3-11-25(12-4-2)16-10-9-15-13-17(22(26)27-20(15)14-16)21-23-18-7-5-6-8-19(18)24-21/h3-10,13-14H,1-2,11-12H2,(H,23,24)
InChIKeyUWNBWLIQFAOINB-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.51
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one

3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one (PubChem CID 88718489) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one
PubChem CID88718489
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one
SMILESC=CCN(CC=C)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
InChIInChI=1S/C22H19N3O2/c1-3-11-25(12-4-2)16-10-9-15-13-17(22(26)27-20(15)14-16)21-23-18-7-5-6-8-19(18)24-21/h3-10,13-14H,1-2,11-12H2,(H,23,24)
InChIKeyUWNBWLIQFAOINB-UHFFFAOYSA-N
XLogP4.51
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one
CID 142605433
3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one;7-(diethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
CID 146405991
2-[7-(diethylamino)-2-oxochromen-3-yl]-3H-benzimidazole-5-sulfonic acid
CID 137458930
3-(1H-benzimidazol-2-yl)-7-(3-methylazetidin-1-yl)chromen-2-one
CID 157263798
3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one
CID 54453856
3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one
CID 147955054
3-[[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]-ethylamino]propanoic acid
CID 10959752
3-(1H-benzimidazol-2-yl)-N,N-diethyl-2-(4-iodophenyl)iminochromen-7-amine
CID 102431222
N-[2-[[3-(1H-benzimidazol-2-yl)-2-oxochromen-7-yl]amino]ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 71655102
3-(1H-benzimidazol-2-yl)-7-(diethylamino)chromen-2-one;3-(1H-benzimidazol-2-yl)-7-(N-phenylanilino)chromen-2-one;3-(1,3-benzothiazol-2-yl)-7-(N-phenylanilino)chromen-2-one;ethyl 2-oxo-7-(N-phenylanilino)chromene-3-carboxylate;2-oxo-7-(N-phenylanilino)chromene-3-carboxylic acid
CID 157229174
3-(1H-benzimidazol-2-yl)-6-nitrochromen-2-one
CID 747782
2-[[3-(1,3-benzoxazol-2-yl)-2-oxochromen-7-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate
CID 171502624

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one (CID 88718489) is 3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one is C=CCN(CC=C)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one?
The InChIKey is UWNBWLIQFAOINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-3-11-25(12-4-2)16-10-9-15-13-17(22(26)27-20(15)14-16)21-23-18-7-5-6-8-19(18)24-21/h3-10,13-14H,1-2,11-12H2,(H,23,24).
What are the key properties of 3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one?
3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one has a molecular weight of 357.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-7-[bis(prop-2-enyl)amino]chromen-2-one is sourced from PubChem (CID 88718489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).