5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline

C21H18N4 — CID 664311

IUPAC5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline
SMILESCCN1c2ccccc2-c2nc3ccccc3n2C1c1ccccn1
InChIInChI=1S/C21H18N4/c1-2-24-18-12-5-3-9-15(18)20-23-16-10-4-6-13-19(16)25(20)21(24)17-11-7-8-14-22-17/h3-14,21H,2H2,1H3
InChIKeyNKECKSNFNCEJGU-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.49
Rot. Bonds2

About 5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline

5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline (PubChem CID 664311) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline
PubChem CID664311
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline
SMILESCCN1c2ccccc2-c2nc3ccccc3n2C1c1ccccn1
InChIInChI=1S/C21H18N4/c1-2-24-18-12-5-3-9-15(18)20-23-16-10-4-6-13-19(16)25(20)21(24)17-11-7-8-14-22-17/h3-14,21H,2H2,1H3
InChIKeyNKECKSNFNCEJGU-UHFFFAOYSA-N
XLogP4.49
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline (CID 664311) is 5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline is CCN1c2ccccc2-c2nc3ccccc3n2C1c1ccccn1.
What is the InChIKey of 5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline?
The InChIKey is NKECKSNFNCEJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-2-24-18-12-5-3-9-15(18)20-23-16-10-4-6-13-19(16)25(20)21(24)17-11-7-8-14-22-17/h3-14,21H,2H2,1H3.
What are the key properties of 5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline?
5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline has a molecular weight of 326.40 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 664311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).