N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

C25H21N5O3 — CID 78894239

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NC(c3ccccc3)c3ccc4nc[nH]c4c3)ccc2c1=O
InChIInChI=1S/C25H21N5O3/c1-2-30-24(32)18-10-8-17(13-20(18)28-25(30)33)23(31)29-22(15-6-4-3-5-7-15)16-9-11-19-21(12-16)27-14-26-19/h3-14,22H,2H2,1H3,(H,26,27)(H,28,33)(H,29,31)
InChIKeyIMJCFEIVOKFFCK-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.11
Rot. Bonds5

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (PubChem CID 78894239) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
PubChem CID78894239
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NC(c3ccccc3)c3ccc4nc[nH]c4c3)ccc2c1=O
InChIInChI=1S/C25H21N5O3/c1-2-30-24(32)18-10-8-17(13-20(18)28-25(30)33)23(31)29-22(15-6-4-3-5-7-15)16-9-11-19-21(12-16)27-14-26-19/h3-14,22H,2H2,1H3,(H,26,27)(H,28,33)(H,29,31)
InChIKeyIMJCFEIVOKFFCK-UHFFFAOYSA-N
XLogP3.11
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide with MolForge

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Related Compounds

N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 27885939
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide
CID 17459495
2-[(3-ethyl-2,4-dioxo-1H-quinazoline-7-carbonyl)amino]-3-methylbutanoic acid
CID 119170339
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24621595
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide
CID 78839231
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
CID 78836794
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811527
3-ethyl-4-oxo-N-[(1R)-1-phenylethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27660271
N-(1,1-diphenylethyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 56522577
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide
CID 78839242
3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide
CID 94132682
N-[1-(2,4-dichlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811241

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide (CID 78894239) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)NC(c3ccccc3)c3ccc4nc[nH]c4c3)ccc2c1=O.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
The InChIKey is IMJCFEIVOKFFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-2-30-24(32)18-10-8-17(13-20(18)28-25(30)33)23(31)29-22(15-6-4-3-5-7-15)16-9-11-19-21(12-16)27-14-26-19/h3-14,22H,2H2,1H3,(H,26,27)(H,28,33)(H,29,31).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 78894239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).