4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline

C20H20N4O2 — CID 21003922

IUPAC4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline
SMILESCOc1cc2ncn(-c3nc(C(C)C)nc4ccccc34)c2cc1OC
InChIInChI=1S/C20H20N4O2/c1-12(2)19-22-14-8-6-5-7-13(14)20(23-19)24-11-21-15-9-17(25-3)18(26-4)10-16(15)24/h5-12H,1-4H3
InChIKeyQPAOGGRJVQPANN-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.11
Rot. Bonds4

About 4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline

4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline (PubChem CID 21003922) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline.

Molecular Properties

Compound Name4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline
PubChem CID21003922
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline
SMILESCOc1cc2ncn(-c3nc(C(C)C)nc4ccccc34)c2cc1OC
InChIInChI=1S/C20H20N4O2/c1-12(2)19-22-14-8-6-5-7-13(14)20(23-19)24-11-21-15-9-17(25-3)18(26-4)10-16(15)24/h5-12H,1-4H3
InChIKeyQPAOGGRJVQPANN-UHFFFAOYSA-N
XLogP4.11
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline?
The IUPAC name of 4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline (CID 21003922) is 4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline.
What is the SMILES notation for 4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline?
The canonical SMILES for 4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline is COc1cc2ncn(-c3nc(C(C)C)nc4ccccc34)c2cc1OC.
What is the InChIKey of 4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline?
The InChIKey is QPAOGGRJVQPANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12(2)19-22-14-8-6-5-7-13(14)20(23-19)24-11-21-15-9-17(25-3)18(26-4)10-16(15)24/h5-12H,1-4H3.
What are the key properties of 4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline?
4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline has a molecular weight of 348.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethoxybenzimidazol-1-yl)-2-propan-2-ylquinazoline is sourced from PubChem (CID 21003922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).