N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide

C27H24N6O — CID 142126077

IUPACN-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide
SMILESCCc1[nH]c(Nc2nc(-c3ccccc3)nc3ccccc23)nc1C(=O)NCc1ccccc1
InChIInChI=1S/C27H24N6O/c1-2-21-23(26(34)28-17-18-11-5-3-6-12-18)31-27(30-21)33-25-20-15-9-10-16-22(20)29-24(32-25)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3,(H,28,34)(H2,29,30,31,32,33)
InChIKeyGEDLDRJASPADLX-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.26
Rot. Bonds7

About N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide

N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide (PubChem CID 142126077) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide
PubChem CID142126077
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC NameN-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide
SMILESCCc1[nH]c(Nc2nc(-c3ccccc3)nc3ccccc23)nc1C(=O)NCc1ccccc1
InChIInChI=1S/C27H24N6O/c1-2-21-23(26(34)28-17-18-11-5-3-6-12-18)31-27(30-21)33-25-20-15-9-10-16-22(20)29-24(32-25)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3,(H,28,34)(H2,29,30,31,32,33)
InChIKeyGEDLDRJASPADLX-UHFFFAOYSA-N
XLogP5.26
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide with MolForge

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Related Compounds

2-(3-ethylphenyl)quinazoline-4-carboxylic acid
CID 159702981
N-(2-ethyl-6-methylphenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2789700
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
methyl 4-[(2-phenylquinazolin-4-yl)amino]benzoate
CID 1183964
2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide
CID 133278092
2-(4-bromophenyl)-N-(5-ethyl-4-methyl-1H-pyrrol-2-yl)quinazolin-4-amine
CID 163767596
2-(4-ethylphenyl)-N-methylquinazolin-4-amine
CID 63500302
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
2-[(2-phenylquinazolin-4-yl)amino]acetate
CID 4053821
N-benzyl-2-(4-methoxyphenyl)quinazolin-4-amine
CID 949742
3-[(2-phenylquinazolin-4-yl)amino]benzoic acid;hydrochloride
CID 2894714
N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide?
The IUPAC name of N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide (CID 142126077) is N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide is CCc1[nH]c(Nc2nc(-c3ccccc3)nc3ccccc23)nc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide?
The InChIKey is GEDLDRJASPADLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-2-21-23(26(34)28-17-18-11-5-3-6-12-18)31-27(30-21)33-25-20-15-9-10-16-22(20)29-24(32-25)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3,(H,28,34)(H2,29,30,31,32,33).
What are the key properties of N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide?
N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 5.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-ethyl-2-[(2-phenylquinazolin-4-yl)amino]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 142126077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).