N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide

C26H22N6O — CID 19392238

IUPACN-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1
InChIInChI=1S/C26H22N6O/c33-25(29-17-20-9-5-2-6-10-20)21-11-12-23-22(15-21)24(28-16-19-7-3-1-4-8-19)31-26(30-23)32-14-13-27-18-32/h1-15,18H,16-17H2,(H,29,33)(H,28,30,31)
InChIKeyWOZPHIILGCSZRL-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.36
Rot. Bonds7

About N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide

N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide (PubChem CID 19392238) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide
PubChem CID19392238
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC NameN-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1
InChIInChI=1S/C26H22N6O/c33-25(29-17-20-9-5-2-6-10-20)21-11-12-23-22(15-21)24(28-16-19-7-3-1-4-8-19)31-26(30-23)32-14-13-27-18-32/h1-15,18H,16-17H2,(H,29,33)(H,28,30,31)
InChIKeyWOZPHIILGCSZRL-UHFFFAOYSA-N
XLogP4.36
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

sodium 4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxylic acid
CID 19392337
N-benzyl-2-imidazol-1-yl-6-nitroquinazolin-4-amine;hydrochloride
CID 19392308
N-benzyl-2-imidazol-1-yl-5-methylpyrimidin-4-amine
CID 22080698
3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 154748801
2-imidazol-1-ylquinazoline-4-carboxamide
CID 172628387
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 37424973
N-[(4-chlorophenyl)methyl]-2-imidazol-1-ylquinoline-4-carboxamide
CID 175093901
N-benzylquinazoline-6-carboxamide
CID 141061658
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
4-amino-N-benzyl-2-methylquinoline-6-carboxamide
CID 15133405
3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 30378303
6-chloro-2-imidazol-1-yl-N-(2-methoxyethyl)quinazolin-4-amine
CID 19392203

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide?
The IUPAC name of N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide (CID 19392238) is N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide.
What is the SMILES notation for N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide?
The canonical SMILES for N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide is O=C(NCc1ccccc1)c1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide?
The InChIKey is WOZPHIILGCSZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c33-25(29-17-20-9-5-2-6-10-20)21-11-12-23-22(15-21)24(28-16-19-7-3-1-4-8-19)31-26(30-23)32-14-13-27-18-32/h1-15,18H,16-17H2,(H,29,33)(H,28,30,31).
What are the key properties of N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide?
N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(benzylamino)-2-imidazol-1-ylquinazoline-6-carboxamide is sourced from PubChem (CID 19392238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).