2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide

C25H22N6O4 — CID 170646759

IUPAC2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide
SMILESCOc1c(-c2nc3ccccc3o2)nc(-c2nc3ccc(C(N)=O)cc3n2C2CCC2)n(C)c1=O
InChIInChI=1S/C25H22N6O4/c1-30-22(23-27-15-11-10-13(21(26)32)12-17(15)31(23)14-6-5-7-14)29-19(20(34-2)25(30)33)24-28-16-8-3-4-9-18(16)35-24/h3-4,8-12,14H,5-7H2,1-2H3,(H2,26,32)
InChIKeyDXHQUUVQCQVVBH-UHFFFAOYSA-N
MW470.49 g/mol
LogP3.44
Rot. Bonds5

About 2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide

2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide (PubChem CID 170646759) has the molecular formula C25H22N6O4 and a molecular weight of 470.49 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide
PubChem CID170646759
Molecular FormulaC25H22N6O4
Molecular Weight470.49 g/mol
Exact Mass470.17
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide
SMILESCOc1c(-c2nc3ccccc3o2)nc(-c2nc3ccc(C(N)=O)cc3n2C2CCC2)n(C)c1=O
InChIInChI=1S/C25H22N6O4/c1-30-22(23-27-15-11-10-13(21(26)32)12-17(15)31(23)14-6-5-7-14)29-19(20(34-2)25(30)33)24-28-16-8-3-4-9-18(16)35-24/h3-4,8-12,14H,5-7H2,1-2H3,(H2,26,32)
InChIKeyDXHQUUVQCQVVBH-UHFFFAOYSA-N
XLogP3.44
TPSA131.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1,3-benzoxazol-2-yl)-5-ethoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carbonitrile
CID 170646621
4-[[[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-methylamino]-phenylmethyl]benzamide;ethane
CID 170646485
tert-butyl 3-cyclobutyl-2-(5-ethoxy-4-ethoxycarbonyl-1-methyl-6-oxopyrimidin-2-yl)benzimidazole-5-carboxylate
CID 170646106
(1S)-2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-1-phenyl-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 170646903
2-[1-cyclobutyl-6-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-2-yl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylic acid
CID 170646070
methyl 3-cyclobutyl-2-[5-hydroxy-1-methyl-4-(1,2-oxazol-4-ylcarbamoyl)-6-oxopyrimidin-2-yl]benzimidazole-5-carboxylate
CID 170645975
ethyl 2-[1-cyclobutyl-6-(5-methyltetrazol-1-yl)benzimidazol-2-yl]-5-ethoxy-1-methyl-6-oxopyrimidine-4-carboxylate
CID 170645960
3-(1,3-benzoxazol-2-yl)benzamide
CID 21105138
(2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone
CID 70515128
1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide
CID 23515839
methyl 1-cyclooctyl-2-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-7-yl]benzimidazole-5-carboxylate
CID 58217346
4-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzamide
CID 27350175

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide (CID 170646759) is 2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide is COc1c(-c2nc3ccccc3o2)nc(-c2nc3ccc(C(N)=O)cc3n2C2CCC2)n(C)c1=O.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide?
The InChIKey is DXHQUUVQCQVVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O4/c1-30-22(23-27-15-11-10-13(21(26)32)12-17(15)31(23)14-6-5-7-14)29-19(20(34-2)25(30)33)24-28-16-8-3-4-9-18(16)35-24/h3-4,8-12,14H,5-7H2,1-2H3,(H2,26,32).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide?
2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide has a molecular weight of 470.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)-5-methoxy-1-methyl-6-oxopyrimidin-2-yl]-3-cyclobutylbenzimidazole-5-carboxamide is sourced from PubChem (CID 170646759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).