N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide

C19H15FN6O2 — CID 11667996

IUPACN-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
SMILESNc1ncncc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccc(F)cc32)cc1
InChIInChI=1S/C19H15FN6O2/c20-13-5-6-14-16(7-13)26(19(28)25-14)9-11-1-3-12(4-2-11)18(27)24-15-8-22-10-23-17(15)21/h1-8,10H,9H2,(H,24,27)(H,25,28)(H2,21,22,23)
InChIKeyXRUIYWTYSNTLLI-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.14
Rot. Bonds4

About N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide

N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide (PubChem CID 11667996) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
PubChem CID11667996
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC NameN-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
SMILESNc1ncncc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccc(F)cc32)cc1
InChIInChI=1S/C19H15FN6O2/c20-13-5-6-14-16(7-13)26(19(28)25-14)9-11-1-3-12(4-2-11)18(27)24-15-8-22-10-23-17(15)21/h1-8,10H,9H2,(H,24,27)(H,25,28)(H2,21,22,23)
InChIKeyXRUIYWTYSNTLLI-UHFFFAOYSA-N
XLogP2.14
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminophenyl)-4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
CID 11675218
2-[4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]-N-methylacetamide
CID 166828603
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
CID 117208282
4-[(5-amino-2-oxo-3H-benzimidazol-1-yl)methyl]-N-(2-aminophenyl)benzamide
CID 70324748
N-(2-aminophenyl)-4-[(2-oxo-5-pyridin-4-yl-3H-benzimidazol-1-yl)methyl]benzamide
CID 11683515
3-[(3-fluorophenyl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82769095
N-(2-aminophenyl)-4-[(5-cyano-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide
CID 11545444
N-(2-aminophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 20785789
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide
CID 50793209
3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 3695666
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232133
1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one
CID 178075733

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide (CID 11667996) is N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide is Nc1ncncc1NC(=O)c1ccc(Cn2c(=O)[nH]c3ccc(F)cc32)cc1.
What is the InChIKey of N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide?
The InChIKey is XRUIYWTYSNTLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c20-13-5-6-14-16(7-13)26(19(28)25-14)9-11-1-3-12(4-2-11)18(27)24-15-8-22-10-23-17(15)21/h1-8,10H,9H2,(H,24,27)(H,25,28)(H2,21,22,23).
What are the key properties of N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide?
N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide has a molecular weight of 378.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopyrimidin-5-yl)-4-[(6-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 11667996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).