[1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol

C20H17N7O2S — CID 67889368

IUPAC[1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol
SMILESCOc1cc2c(cc1CO)nc(-c1nccs1)n2-c1ccc2c(N)nc(N)nc2c1
InChIInChI=1S/C20H17N7O2S/c1-29-16-8-15-14(6-10(16)9-28)24-18(19-23-4-5-30-19)27(15)11-2-3-12-13(7-11)25-20(22)26-17(12)21/h2-8,28H,9H2,1H3,(H4,21,22,25,26)
InChIKeyAKOLUXJGSSGNIO-UHFFFAOYSA-N
MW419.47 g/mol
LogP2.76
Rot. Bonds4

About [1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol

[1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol (PubChem CID 67889368) has the molecular formula C20H17N7O2S and a molecular weight of 419.47 g/mol. Its IUPAC name is [1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol
PubChem CID67889368
Molecular FormulaC20H17N7O2S
Molecular Weight419.47 g/mol
Exact Mass419.12
IUPAC Name[1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol
SMILESCOc1cc2c(cc1CO)nc(-c1nccs1)n2-c1ccc2c(N)nc(N)nc2c1
InChIInChI=1S/C20H17N7O2S/c1-29-16-8-15-14(6-10(16)9-28)24-18(19-23-4-5-30-19)27(15)11-2-3-12-13(7-11)25-20(22)26-17(12)21/h2-8,28H,9H2,1H3,(H4,21,22,25,26)
InChIKeyAKOLUXJGSSGNIO-UHFFFAOYSA-N
XLogP2.76
TPSA137.99 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.47
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol?
The IUPAC name of [1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol (CID 67889368) is [1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol.
What is the SMILES notation for [1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol?
The canonical SMILES for [1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol is COc1cc2c(cc1CO)nc(-c1nccs1)n2-c1ccc2c(N)nc(N)nc2c1.
What is the InChIKey of [1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol?
The InChIKey is AKOLUXJGSSGNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2S/c1-29-16-8-15-14(6-10(16)9-28)24-18(19-23-4-5-30-19)27(15)11-2-3-12-13(7-11)25-20(22)26-17(12)21/h2-8,28H,9H2,1H3,(H4,21,22,25,26).
What are the key properties of [1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol?
[1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol has a molecular weight of 419.47 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-diaminoquinazolin-7-yl)-6-methoxy-2-(1,3-thiazol-2-yl)benzimidazol-5-yl]methanol is sourced from PubChem (CID 67889368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).