4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine

C19H22FN3 — CID 94748001

IUPAC4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine
SMILESCc1cc2nc(-c3ccc(F)cc3)n(CCCCN)c2cc1C
InChIInChI=1S/C19H22FN3/c1-13-11-17-18(12-14(13)2)23(10-4-3-9-21)19(22-17)15-5-7-16(20)8-6-15/h5-8,11-12H,3-4,9-10,21H2,1-2H3
InChIKeyRTMTUOPIVNTPDG-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.20
Rot. Bonds5

About 4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine

4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine (PubChem CID 94748001) has the molecular formula C19H22FN3 and a molecular weight of 311.40 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine
PubChem CID94748001
Molecular FormulaC19H22FN3
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC Name4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine
SMILESCc1cc2nc(-c3ccc(F)cc3)n(CCCCN)c2cc1C
InChIInChI=1S/C19H22FN3/c1-13-11-17-18(12-14(13)2)23(10-4-3-9-21)19(22-17)15-5-7-16(20)8-6-15/h5-8,11-12H,3-4,9-10,21H2,1-2H3
InChIKeyRTMTUOPIVNTPDG-UHFFFAOYSA-N
XLogP4.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]propanoic acid
CID 94748004
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276
4-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]aniline
CID 82146344
5-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]-2-methylaniline
CID 94750354
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
CID 82146184
2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine
CID 82146233
4-[2-(3,4-difluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butanenitrile
CID 82150475
4-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]butanenitrile
CID 82150464
4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline
CID 92635779
2-(4-fluorophenyl)-1-pentylbenzimidazole
CID 19243184
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanoic acid
CID 94747971
3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine
CID 94749237

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine (CID 94748001) is 4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine is Cc1cc2nc(-c3ccc(F)cc3)n(CCCCN)c2cc1C.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine?
The InChIKey is RTMTUOPIVNTPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3/c1-13-11-17-18(12-14(13)2)23(10-4-3-9-21)19(22-17)15-5-7-16(20)8-6-15/h5-8,11-12H,3-4,9-10,21H2,1-2H3.
What are the key properties of 4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine?
4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine has a molecular weight of 311.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine is sourced from PubChem (CID 94748001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).