N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine

C18H19FN4 — CID 154774858

IUPACN-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine
SMILESCC(CCc1ccc(F)cc1)=NNc1nc2ccccc2n1C
InChIInChI=1S/C18H19FN4/c1-13(7-8-14-9-11-15(19)12-10-14)21-22-18-20-16-5-3-4-6-17(16)23(18)2/h3-6,9-12H,7-8H2,1-2H3,(H,20,22)
InChIKeyDLIUJHVCEPZESH-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.13
Rot. Bonds5

About N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine

N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine (PubChem CID 154774858) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine
PubChem CID154774858
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC NameN-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine
SMILESCC(CCc1ccc(F)cc1)=NNc1nc2ccccc2n1C
InChIInChI=1S/C18H19FN4/c1-13(7-8-14-9-11-15(19)12-10-14)21-22-18-20-16-5-3-4-6-17(16)23(18)2/h3-6,9-12H,7-8H2,1-2H3,(H,20,22)
InChIKeyDLIUJHVCEPZESH-UHFFFAOYSA-N
XLogP4.13
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(4-hydroxyphenyl)butan-2-ylidene]hydrazinyl]-3-methylquinazolin-4-one
CID 71901782
3-ethyl-2-[(2Z)-2-(4-phenylbutan-2-ylidene)hydrazinyl]quinazolin-4-one
CID 8983457
1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine
CID 131997866
N-[(Z)-4-phenylbutan-2-ylideneamino]-1,3-benzothiazol-2-amine
CID 9017097
2-(4-fluorophenyl)-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]acetamide
CID 46328474
N-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline
CID 134100687
N,1-bis[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 11595468
N-(benzylideneamino)-1-methylbenzimidazol-2-amine
CID 589673
2-(2-chloroethyl)-1-[2-(4-fluorophenyl)ethyl]benzimidazole
CID 43666246
(E)-3-[3-[1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-yl]phenyl]-N-methylprop-2-enamide
CID 58787460
N-[1-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-ylidene]hydroxylamine
CID 151889884
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine?
The IUPAC name of N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine (CID 154774858) is N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine.
What is the SMILES notation for N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine?
The canonical SMILES for N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine is CC(CCc1ccc(F)cc1)=NNc1nc2ccccc2n1C.
What is the InChIKey of N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine?
The InChIKey is DLIUJHVCEPZESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-13(7-8-14-9-11-15(19)12-10-14)21-22-18-20-16-5-3-4-6-17(16)23(18)2/h3-6,9-12H,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine?
N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine has a molecular weight of 310.38 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine is sourced from PubChem (CID 154774858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).