2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one

C22H18N4O2 — CID 75366120

IUPAC2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one
SMILESCc1cc2oc3nc(N)c(-c4nc5ccccc5n4C)cc3c(=O)c2cc1C
InChIInChI=1S/C22H18N4O2/c1-11-8-13-18(9-12(11)2)28-22-14(19(13)27)10-15(20(23)25-22)21-24-16-6-4-5-7-17(16)26(21)3/h4-10H,1-3H3,(H2,23,25)
InChIKeyUWENAXASFCIDQI-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.09
Rot. Bonds1

About 2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one

2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one (PubChem CID 75366120) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one
PubChem CID75366120
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one
SMILESCc1cc2oc3nc(N)c(-c4nc5ccccc5n4C)cc3c(=O)c2cc1C
InChIInChI=1S/C22H18N4O2/c1-11-8-13-18(9-12(11)2)28-22-14(19(13)27)10-15(20(23)25-22)21-24-16-6-4-5-7-17(16)26(21)3/h4-10H,1-3H3,(H2,23,25)
InChIKeyUWENAXASFCIDQI-UHFFFAOYSA-N
XLogP4.09
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one?
The IUPAC name of 2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one (CID 75366120) is 2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one is Cc1cc2oc3nc(N)c(-c4nc5ccccc5n4C)cc3c(=O)c2cc1C.
What is the InChIKey of 2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one?
The InChIKey is UWENAXASFCIDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-11-8-13-18(9-12(11)2)28-22-14(19(13)27)10-15(20(23)25-22)21-24-16-6-4-5-7-17(16)26(21)3/h4-10H,1-3H3,(H2,23,25).
What are the key properties of 2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one?
2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one has a molecular weight of 370.41 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7,8-dimethyl-3-(1-methylbenzimidazol-2-yl)chromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 75366120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).