7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine

C22H19N7 — CID 56595784

IUPAC7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
SMILESCc1cc2nc(-c3ccccn3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C
InChIInChI=1S/C22H19N7/c1-12-9-18-19(10-13(12)2)29(21(26-18)16-5-3-4-8-25-16)14-6-7-15-17(11-14)27-22(24)28-20(15)23/h3-11H,1-2H3,(H4,23,24,27,28)
InChIKeyIRBPSRDQINBHFJ-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.81
Rot. Bonds2

About 7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine

7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine (PubChem CID 56595784) has the molecular formula C22H19N7 and a molecular weight of 381.44 g/mol. Its IUPAC name is 7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
PubChem CID56595784
Molecular FormulaC22H19N7
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC Name7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine
SMILESCc1cc2nc(-c3ccccn3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C
InChIInChI=1S/C22H19N7/c1-12-9-18-19(10-13(12)2)29(21(26-18)16-5-3-4-8-25-16)14-6-7-15-17(11-14)27-22(24)28-20(15)23/h3-11H,1-2H3,(H4,23,24,27,28)
InChIKeyIRBPSRDQINBHFJ-UHFFFAOYSA-N
XLogP3.81
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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PF-4708671
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Frequently Asked Questions

What is the IUPAC name of 7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The IUPAC name of 7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine (CID 56595784) is 7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine.
What is the SMILES notation for 7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The canonical SMILES for 7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine is Cc1cc2nc(-c3ccccn3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C.
What is the InChIKey of 7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
The InChIKey is IRBPSRDQINBHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7/c1-12-9-18-19(10-13(12)2)29(21(26-18)16-5-3-4-8-25-16)14-6-7-15-17(11-14)27-22(24)28-20(15)23/h3-11H,1-2H3,(H4,23,24,27,28).
What are the key properties of 7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine?
7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine has a molecular weight of 381.44 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5,6-dimethyl-2-pyridin-2-ylbenzimidazol-1-yl)quinazoline-2,4-diamine is sourced from PubChem (CID 56595784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).