2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline

C19H20N4O2 — CID 67892264

IUPAC2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline
SMILESC1=NCc2ccccc2N1.O=C(O)C1CN=C(Cc2ccccc2)N1
InChIInChI=1S/C11H12N2O2.C8H8N2/c14-11(15)9-7-12-10(13-9)6-8-4-2-1-3-5-8;1-2-4-8-7(3-1)5-9-6-10-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15);1-4,6H,5H2,(H,9,10)
InChIKeyWPEIOLKZTCFGJX-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.32
Rot. Bonds3

About 2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline

2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline (PubChem CID 67892264) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline.

Molecular Properties

Compound Name2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline
PubChem CID67892264
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline
SMILESC1=NCc2ccccc2N1.O=C(O)C1CN=C(Cc2ccccc2)N1
InChIInChI=1S/C11H12N2O2.C8H8N2/c14-11(15)9-7-12-10(13-9)6-8-4-2-1-3-5-8;1-2-4-8-7(3-1)5-9-6-10-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15);1-4,6H,5H2,(H,9,10)
InChIKeyWPEIOLKZTCFGJX-UHFFFAOYSA-N
XLogP2.32
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline?
The IUPAC name of 2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline (CID 67892264) is 2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline.
What is the SMILES notation for 2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline?
The canonical SMILES for 2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline is C1=NCc2ccccc2N1.O=C(O)C1CN=C(Cc2ccccc2)N1.
What is the InChIKey of 2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline?
The InChIKey is WPEIOLKZTCFGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C8H8N2/c14-11(15)9-7-12-10(13-9)6-8-4-2-1-3-5-8;1-2-4-8-7(3-1)5-9-6-10-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15);1-4,6H,5H2,(H,9,10).
What are the key properties of 2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline?
2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline has a molecular weight of 336.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,5-dihydro-1H-imidazole-5-carboxylic acid;1,4-dihydroquinazoline is sourced from PubChem (CID 67892264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).