N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide

C18H12F2N4O3 — CID 58101030

IUPACN-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1nc2[nH]c3ccccc3n2c(=O)c1O
InChIInChI=1S/C18H12F2N4O3/c19-10-6-5-9(7-11(10)20)8-21-16(26)14-15(25)17(27)24-13-4-2-1-3-12(13)22-18(24)23-14/h1-7,25H,8H2,(H,21,26)(H,22,23)
InChIKeyVVFZUCGVCRVWPK-UHFFFAOYSA-N
MW370.32 g/mol
LogP2.09
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide

N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 58101030) has the molecular formula C18H12F2N4O3 and a molecular weight of 370.32 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID58101030
Molecular FormulaC18H12F2N4O3
Molecular Weight370.32 g/mol
Exact Mass370.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1nc2[nH]c3ccccc3n2c(=O)c1O
InChIInChI=1S/C18H12F2N4O3/c19-10-6-5-9(7-11(10)20)8-21-16(26)14-15(25)17(27)24-13-4-2-1-3-12(13)22-18(24)23-14/h1-7,25H,8H2,(H,21,26)(H,22,23)
InChIKeyVVFZUCGVCRVWPK-UHFFFAOYSA-N
XLogP2.09
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-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

N-[(4-fluorophenyl)methyl]-5,6-dihydroxy-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 135446356
[2-(Carboxymethyl-hydrazono)-3-(3,4-difluoro-benzyl)-2,3-dihydro-benzoimidazol-1-yl]-oxo-acetic acid
CID 11069492
N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 54730367
N-[(4-fluorophenyl)methyl]-3-hydroxy-10-methyl-4-oxo-pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 54730368
[2-(Carboxymethyl-hydrazono)-3-(4-fluoro-benzyl)-2,3-dihydro-benzoimidazol-1-yl]-oxo-acetic acid
CID 11090324
2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]-N-(propan-2-yl)acetamide
CID 45031785
N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]acetamide
CID 53035348
10-(2-Phenylethyl)-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one
CID 71652244
10-Benzyl-2-piperazin-1-ylpyrimido[1,2-a]benzimidazol-4-one
CID 71654566
2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]-N-(propan-2-yl)acetamide
CID 45031680
N-cyclopentyl-2-[2-(4-methylphenyl)-4-oxopyrimido[1,2-a]benzimidazol-10(4H)-yl]acetamide
CID 45031686
10-[(3-Fluorophenyl)methyl]-2-phenylpyrimido[1,2-a]benzimidazol-4-one
CID 45031583

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 58101030) is N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1nc2[nH]c3ccccc3n2c(=O)c1O.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is VVFZUCGVCRVWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O3/c19-10-6-5-9(7-11(10)20)8-21-16(26)14-15(25)17(27)24-13-4-2-1-3-12(13)22-18(24)23-14/h1-7,25H,8H2,(H,21,26)(H,22,23).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide?
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 370.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-hydroxy-4-oxo-10H-pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 58101030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).