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

C25H21N5O3 — CID 24532368

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESCCn1c(CNC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)nc2ccccc21
InChIInChI=1S/C25H21N5O3/c1-2-29-21-11-7-6-10-19(21)27-22(29)15-26-23(31)16-12-13-18-20(14-16)28-25(33)30(24(18)32)17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H,26,31)(H,28,33)
InChIKeyUJYDNIKZSHGMNI-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.98
Rot. Bonds5

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

N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (PubChem CID 24532368) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
PubChem CID24532368
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESCCn1c(CNC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)nc2ccccc21
InChIInChI=1S/C25H21N5O3/c1-2-29-21-11-7-6-10-19(21)27-22(29)15-26-23(31)16-12-13-18-20(14-16)28-25(33)30(24(18)32)17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H,26,31)(H,28,33)
InChIKeyUJYDNIKZSHGMNI-UHFFFAOYSA-N
XLogP2.98
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide
CID 24531761
N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 24597914
2,4-dioxo-3-phenyl-N-prop-2-ynyl-1H-quinazoline-7-carboxamide
CID 17434509
N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17412668
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 71944245
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
2,4-dioxo-3-phenyl-N-(2-pyridin-2-ylethyl)-1H-quinazoline-7-carboxamide
CID 24540652
N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(methylsulfamoyl)benzamide
CID 18116771
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55408980
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24549102
N-(1H-indol-2-ylmethyl)-4-oxo-3-phenyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 86873323
4-chloro-3-(dimethylsulfamoyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]benzamide
CID 55408900

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (CID 24532368) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is CCn1c(CNC(=O)c2ccc3c(=O)n(-c4ccccc4)c(=O)[nH]c3c2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The InChIKey is UJYDNIKZSHGMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-2-29-21-11-7-6-10-19(21)27-22(29)15-26-23(31)16-12-13-18-20(14-16)28-25(33)30(24(18)32)17-8-4-3-5-9-17/h3-14H,2,15H2,1H3,(H,26,31)(H,28,33).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 24532368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).