4-(benzimidazol-1-yl)quinazolin-7-amine

C15H11N5 — CID 65336608

IUPAC4-(benzimidazol-1-yl)quinazolin-7-amine
SMILESNc1ccc2c(-n3cnc4ccccc43)ncnc2c1
InChIInChI=1S/C15H11N5/c16-10-5-6-11-13(7-10)17-8-18-15(11)20-9-19-12-3-1-2-4-14(12)20/h1-9H,16H2
InChIKeyULJCVZGVHXIZJF-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.55
Rot. Bonds1

About 4-(benzimidazol-1-yl)quinazolin-7-amine

4-(benzimidazol-1-yl)quinazolin-7-amine (PubChem CID 65336608) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)quinazolin-7-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)quinazolin-7-amine
PubChem CID65336608
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name4-(benzimidazol-1-yl)quinazolin-7-amine
SMILESNc1ccc2c(-n3cnc4ccccc43)ncnc2c1
InChIInChI=1S/C15H11N5/c16-10-5-6-11-13(7-10)17-8-18-15(11)20-9-19-12-3-1-2-4-14(12)20/h1-9H,16H2
InChIKeyULJCVZGVHXIZJF-UHFFFAOYSA-N
XLogP2.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine
CID 17417188
3-(benzimidazol-1-yl)-4-methylaniline
CID 82512834
4-(azepan-1-yl)quinazolin-7-amine
CID 65336850
4-(azocan-1-yl)quinazolin-7-amine
CID 65337382
4-(benzimidazol-1-yl)-6,7,8-trimethoxyquinazoline
CID 110435786
4-(3-methylpyrazol-1-yl)quinazolin-7-amine
CID 65336078
4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138691
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352
6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19149882
6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine
CID 19136313
4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine
CID 103505104
3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine
CID 103078998

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)quinazolin-7-amine?
The IUPAC name of 4-(benzimidazol-1-yl)quinazolin-7-amine (CID 65336608) is 4-(benzimidazol-1-yl)quinazolin-7-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)quinazolin-7-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)quinazolin-7-amine is Nc1ccc2c(-n3cnc4ccccc43)ncnc2c1.
What is the InChIKey of 4-(benzimidazol-1-yl)quinazolin-7-amine?
The InChIKey is ULJCVZGVHXIZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-10-5-6-11-13(7-10)17-8-18-15(11)20-9-19-12-3-1-2-4-14(12)20/h1-9H,16H2.
What are the key properties of 4-(benzimidazol-1-yl)quinazolin-7-amine?
4-(benzimidazol-1-yl)quinazolin-7-amine has a molecular weight of 261.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)quinazolin-7-amine is sourced from PubChem (CID 65336608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).