[6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea

C24H19FN6O — CID 148677202

IUPAC[6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea
SMILESC=C1NN=C(Cc2ccc(F)c(-c3ccc4nc(NC(N)=O)[nH]c4c3)c2)c2ccccc21
InChIInChI=1S/C24H19FN6O/c1-13-16-4-2-3-5-17(16)21(31-30-13)11-14-6-8-19(25)18(10-14)15-7-9-20-22(12-15)28-24(27-20)29-23(26)32/h2-10,12,30H,1,11H2,(H4,26,27,28,29,32)
InChIKeyNQWQAAVTIKZESE-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.38
Rot. Bonds4

About [6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea

[6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea (PubChem CID 148677202) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is [6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name[6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea
PubChem CID148677202
Molecular FormulaC24H19FN6O
Molecular Weight426.46 g/mol
Exact Mass426.16
IUPAC Name[6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea
SMILESC=C1NN=C(Cc2ccc(F)c(-c3ccc4nc(NC(N)=O)[nH]c4c3)c2)c2ccccc21
InChIInChI=1S/C24H19FN6O/c1-13-16-4-2-3-5-17(16)21(31-30-13)11-14-6-8-19(25)18(10-14)15-7-9-20-22(12-15)28-24(27-20)29-23(26)32/h2-10,12,30H,1,11H2,(H4,26,27,28,29,32)
InChIKeyNQWQAAVTIKZESE-UHFFFAOYSA-N
XLogP4.38
TPSA108.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-fluoro-3-[2-(methylamino)-3H-benzimidazol-5-yl]phenyl]methyl]-2H-phthalazin-1-one
CID 166667486
1-ethyl-3-[6-[2-fluoro-5-[(8-fluoro-4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea
CID 145426159
1-cyclobutyl-3-[6-[2-fluoro-5-[(4-oxo-6,7-dihydro-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea
CID 145426179
[6-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid
CID 67736355
prop-2-ynyl N-(6-phenyl-1H-benzimidazol-2-yl)carbamate
CID 21366127
N-[6-(4-oxo-3H-isoquinolin-1-yl)-1H-benzimidazol-2-yl]propanamide
CID 157457215
[6-[(2-chlorophenyl)methyl]-1H-benzimidazol-2-yl]carbamic acid;hydrochloride
CID 67736317
[6-[2-fluoro-5-[(7-methyl-4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl] carbamate
CID 175274580
2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 155971100
[4-(3-fluoro-2-pyridinyl)-6-(6-methyl-3-pyridinyl)-1H-benzimidazol-2-yl]urea
CID 11545039
2-chloroethyl N-[6-(5,8-difluoro-4-hydroxy-3,4-dihydrophthalazin-1-yl)-1H-benzimidazol-2-yl]carbamate
CID 170070299
N-(1H-benzimidazol-2-yl)-5-chloro-2-fluorobenzamide
CID 51229012

Frequently Asked Questions

What is the IUPAC name of [6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea?
The IUPAC name of [6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea (CID 148677202) is [6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for [6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea?
The canonical SMILES for [6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea is C=C1NN=C(Cc2ccc(F)c(-c3ccc4nc(NC(N)=O)[nH]c4c3)c2)c2ccccc21.
What is the InChIKey of [6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea?
The InChIKey is NQWQAAVTIKZESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-13-16-4-2-3-5-17(16)21(31-30-13)11-14-6-8-19(25)18(10-14)15-7-9-20-22(12-15)28-24(27-20)29-23(26)32/h2-10,12,30H,1,11H2,(H4,26,27,28,29,32).
What are the key properties of [6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea?
[6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea has a molecular weight of 426.46 g/mol, XLogP of 4.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-fluoro-5-[(4-methylidene-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 148677202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).