2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide

C17H17FN4 — CID 4915580

IUPAC2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
SMILESCC(C)/N=C(\N)c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C17H17FN4/c1-10(2)20-16(19)12-5-8-14-15(9-12)22-17(21-14)11-3-6-13(18)7-4-11/h3-10H,1-2H3,(H2,19,20)(H,21,22)
InChIKeyPFPGACOAGYKYNN-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.48
Rot. Bonds3

About 2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide

2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide (PubChem CID 4915580) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
PubChem CID4915580
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC Name2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
SMILESCC(C)/N=C(\N)c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C17H17FN4/c1-10(2)20-16(19)12-5-8-14-15(9-12)22-17(21-14)11-3-6-13(18)7-4-11/h3-10H,1-2H3,(H2,19,20)(H,21,22)
InChIKeyPFPGACOAGYKYNN-UHFFFAOYSA-N
XLogP3.48
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
CID 3007950
N'-hydroxy-2-[4-[6-(N'-hydroxycarbamimidoyl)-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 147189272
2-[4-[N-methyl-4-[6-[1-(propan-2-ylamino)ethenyl]-1H-benzimidazol-2-yl]anilino]phenyl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
CID 164947538
N'-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-3H-benzimidazole-5-carboximidamide
CID 4915581
2-(4-oxo-2-phenylchromen-6-yl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
CID 5274479
2-[4-[2-fluoro-4-[6-[1-(propan-2-ylamino)ethenyl]-1H-benzimidazol-2-yl]phenoxy]-2-methylphenyl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
CID 164980010
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
2-[2-bromo-4-[3-bromo-4-[6-[1-(propan-2-ylamino)ethenyl]-1H-benzimidazol-2-yl]phenoxy]phenyl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
CID 165051541
N'-pentan-3-yl-2-[4-[4-[6-[1-(pentan-3-ylamino)ethenyl]-1H-benzimidazol-2-yl]phenoxy]phenyl]-3H-benzimidazole-5-carboximidamide
CID 165062251
N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide
CID 137187151
N'-butyl-2-[4-[2-[4-[6-(N'-butylcarbamimidoyl)-1H-benzimidazol-2-yl]phenyl]ethyl]phenyl]-3H-benzimidazole-5-carboximidamide
CID 11399319
N'-hexyl-2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboximidamide;hydrochloride
CID 135925102

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide?
The IUPAC name of 2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide (CID 4915580) is 2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide?
The canonical SMILES for 2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide is CC(C)/N=C(\N)c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide?
The InChIKey is PFPGACOAGYKYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-10(2)20-16(19)12-5-8-14-15(9-12)22-17(21-14)11-3-6-13(18)7-4-11/h3-10H,1-2H3,(H2,19,20)(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide?
2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide has a molecular weight of 296.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide is sourced from PubChem (CID 4915580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).