3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one

C23H19N5O — CID 118331924

IUPAC3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one
SMILESCc1cccc2c(NCc3ccccc3)nc(-n3c(=O)[nH]c4ccccc43)nc12
InChIInChI=1S/C23H19N5O/c1-15-8-7-11-17-20(15)26-22(27-21(17)24-14-16-9-3-2-4-10-16)28-19-13-6-5-12-18(19)25-23(28)29/h2-13H,14H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyYEHPBFDBUASSIL-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.18
Rot. Bonds4

About 3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one

3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one (PubChem CID 118331924) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one
PubChem CID118331924
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one
SMILESCc1cccc2c(NCc3ccccc3)nc(-n3c(=O)[nH]c4ccccc43)nc12
InChIInChI=1S/C23H19N5O/c1-15-8-7-11-17-20(15)26-22(27-21(17)24-14-16-9-3-2-4-10-16)28-19-13-6-5-12-18(19)25-23(28)29/h2-13H,14H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyYEHPBFDBUASSIL-UHFFFAOYSA-N
XLogP4.18
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one 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 3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one (CID 118331924) is 3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one is Cc1cccc2c(NCc3ccccc3)nc(-n3c(=O)[nH]c4ccccc43)nc12.
What is the InChIKey of 3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one?
The InChIKey is YEHPBFDBUASSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-15-8-7-11-17-20(15)26-22(27-21(17)24-14-16-9-3-2-4-10-16)28-19-13-6-5-12-18(19)25-23(28)29/h2-13H,14H2,1H3,(H,25,29)(H,24,26,27).
What are the key properties of 3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one?
3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one has a molecular weight of 381.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylamino)-8-methylquinazolin-2-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 118331924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).