3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one

C22H23N3O2 — CID 142605433

IUPAC3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one
SMILESCC(C)N(c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1)C(C)C
InChIInChI=1S/C22H23N3O2/c1-13(2)25(14(3)4)16-10-9-15-11-17(22(26)27-20(15)12-16)21-23-18-7-5-6-8-19(18)24-21/h5-14H,1-4H3,(H,23,24)
InChIKeyAMJJVMQCJKEZRK-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.96
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one

3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one (PubChem CID 142605433) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one
PubChem CID142605433
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one
SMILESCC(C)N(c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1)C(C)C
InChIInChI=1S/C22H23N3O2/c1-13(2)25(14(3)4)16-10-9-15-11-17(22(26)27-20(15)12-16)21-23-18-7-5-6-8-19(18)24-21/h5-14H,1-4H3,(H,23,24)
InChIKeyAMJJVMQCJKEZRK-UHFFFAOYSA-N
XLogP4.96
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 88718489
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3-(1H-benzimidazol-2-yl)-7-(3-methylazetidin-1-yl)chromen-2-one
CID 157263798
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CID 137458930
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CID 747782
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3-(1H-benzimidazol-2-ylamino)-7-(diethylamino)chromen-2-one
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3-(1H-benzimidazol-2-yl)-6-[(4-chlorophenyl)diazenyl]chromen-2-one
CID 3465479
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
3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1H-quinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one (CID 142605433) is 3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one is CC(C)N(c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1)C(C)C.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one?
The InChIKey is AMJJVMQCJKEZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-13(2)25(14(3)4)16-10-9-15-11-17(22(26)27-20(15)12-16)21-23-18-7-5-6-8-19(18)24-21/h5-14H,1-4H3,(H,23,24).
What are the key properties of 3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one?
3-(1H-benzimidazol-2-yl)-7-[di(propan-2-yl)amino]chromen-2-one has a molecular weight of 361.45 g/mol, XLogP of 4.96, 4 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-[di(propan-2-yl)amino]chromen-2-one is sourced from PubChem (CID 142605433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).