N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide

C26H22N6O4 — CID 24531761

IUPACN'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc4c(=O)n(-c5ccccc5)c(=O)[nH]c4c3)ccc21
InChIInChI=1S/C26H22N6O4/c1-3-31-15(2)27-21-14-17(10-12-22(21)31)24(34)30-29-23(33)16-9-11-19-20(13-16)28-26(36)32(25(19)35)18-7-5-4-6-8-18/h4-14H,3H2,1-2H3,(H,28,36)(H,29,33)(H,30,34)
InChIKeyKFBDMLQYSSJQJH-UHFFFAOYSA-N
MW482.50 g/mol
LogP2.43
Rot. Bonds4

About N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide

N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide (PubChem CID 24531761) has the molecular formula C26H22N6O4 and a molecular weight of 482.50 g/mol. Its IUPAC name is N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide.

Molecular Properties

Compound NameN'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide
PubChem CID24531761
Molecular FormulaC26H22N6O4
Molecular Weight482.50 g/mol
Exact Mass482.17
IUPAC NameN'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc4c(=O)n(-c5ccccc5)c(=O)[nH]c4c3)ccc21
InChIInChI=1S/C26H22N6O4/c1-3-31-15(2)27-21-14-17(10-12-22(21)31)24(34)30-29-23(33)16-9-11-19-20(13-16)28-26(36)32(25(19)35)18-7-5-4-6-8-18/h4-14H,3H2,1-2H3,(H,28,36)(H,29,33)(H,30,34)
InChIKeyKFBDMLQYSSJQJH-UHFFFAOYSA-N
XLogP2.43
TPSA130.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 24532368
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide
CID 24531731
N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17412668
1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide
CID 2090701
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
2,4-dioxo-3-phenyl-N-prop-2-ynyl-1H-quinazoline-7-carboxamide
CID 17434509
1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
CID 39707198
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
N'-(1,3-diphenyl-4,5-dihydrodiazepine-7-carbonyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 170234569
3-ethyl-N'-(4-fluorobenzoyl)-2,4-dioxo-1H-quinazoline-7-carbohydrazide
CID 55810946
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide?
The IUPAC name of N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide (CID 24531761) is N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide.
What is the SMILES notation for N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide?
The canonical SMILES for N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc4c(=O)n(-c5ccccc5)c(=O)[nH]c4c3)ccc21.
What is the InChIKey of N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide?
The InChIKey is KFBDMLQYSSJQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O4/c1-3-31-15(2)27-21-14-17(10-12-22(21)31)24(34)30-29-23(33)16-9-11-19-20(13-16)28-26(36)32(25(19)35)18-7-5-4-6-8-18/h4-14H,3H2,1-2H3,(H,28,36)(H,29,33)(H,30,34).
What are the key properties of N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide?
N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide has a molecular weight of 482.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide is sourced from PubChem (CID 24531761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).