7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride

C23H24ClN5O2 — CID 171347388

IUPAC7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride
SMILESCCN(CC)c1ccc2cc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)c(=O)oc2c1.Cl
InChIInChI=1S/C23H23N5O2.ClH/c1-3-28(4-2)16-7-5-14-11-17(23(29)30-20(14)13-16)22-26-18-8-6-15(12-19(18)27-22)21-24-9-10-25-21;/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,25)(H,26,27);1H
InChIKeyUIOIAAZYDYFLLF-UHFFFAOYSA-N
MW437.93 g/mol
LogP3.95
Rot. Bonds5

About 7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride

7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride (PubChem CID 171347388) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride.

Molecular Properties

Compound Name7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride
PubChem CID171347388
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride
SMILESCCN(CC)c1ccc2cc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)c(=O)oc2c1.Cl
InChIInChI=1S/C23H23N5O2.ClH/c1-3-28(4-2)16-7-5-14-11-17(23(29)30-20(14)13-16)22-26-18-8-6-15(12-19(18)27-22)21-24-9-10-25-21;/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,25)(H,26,27);1H
InChIKeyUIOIAAZYDYFLLF-UHFFFAOYSA-N
XLogP3.95
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Coumarin 30
CID 100335
Coumarin 7
CID 94381
3-(1-Methylbenzimidazol-2-yl)chromen-2-one
CID 951231
ST076513
CID 732122
1H-Benzimidazolium, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-, chloride (1:1)
CID 169053
4-amino-3-(1H-benzimidazol-2-yl)-5-(1-methylpiperidin-3-yl)oxy-1H-quinolin-2-one
CID 135674167
3-(1H-Benzoimidazol-2-yl)-8-methoxy-chromen-2-one
CID 791051
7H-(1)Benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-
CID 104185
2-(4-(4-Carbamimidoylphenoxy)phenyl)-1H-benzo[D]imidazole-6-carboximidamide
CID 456167
2-(8-methyl-2-oxo-2H-chromen-3-yl)-1H-benzimidazole-6-carboxylic acid
CID 22587966
3-(5-methyl-1H-benzimidazol-2-yl)chromen-2-one
CID 686134
2H-1-Benzopyran-2-one, 6-methoxy-3-(5-methoxy-1H-1,3-benzimidazol-2-yl)-
CID 4902022

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride?
The IUPAC name of 7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride (CID 171347388) is 7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride.
What is the SMILES notation for 7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride?
The canonical SMILES for 7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride is CCN(CC)c1ccc2cc(-c3nc4ccc(C5=NCCN5)cc4[nH]3)c(=O)oc2c1.Cl.
What is the InChIKey of 7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride?
The InChIKey is UIOIAAZYDYFLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2.ClH/c1-3-28(4-2)16-7-5-14-11-17(23(29)30-20(14)13-16)22-26-18-8-6-15(12-19(18)27-22)21-24-9-10-25-21;/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,25)(H,26,27);1H.
What are the key properties of 7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride?
7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride has a molecular weight of 437.93 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]chromen-2-one;hydrochloride is sourced from PubChem (CID 171347388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).