N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine

C18H20FN3 — CID 83962035

IUPACN-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine
SMILESCn1c(CCCNCc2ccccc2F)nc2ccccc21
InChIInChI=1S/C18H20FN3/c1-22-17-10-5-4-9-16(17)21-18(22)11-6-12-20-13-14-7-2-3-8-15(14)19/h2-5,7-10,20H,6,11-13H2,1H3
InChIKeyZSUWXEOOQQEYFY-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.43
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine

N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine (PubChem CID 83962035) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine
PubChem CID83962035
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine
SMILESCn1c(CCCNCc2ccccc2F)nc2ccccc21
InChIInChI=1S/C18H20FN3/c1-22-17-10-5-4-9-16(17)21-18(22)11-6-12-20-13-14-7-2-3-8-15(14)19/h2-5,7-10,20H,6,11-13H2,1H3
InChIKeyZSUWXEOOQQEYFY-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.43
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

N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
3-(1-methylbenzimidazol-2-yl)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 83962034
4-(1-methylbenzimidazol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 79750722
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
N-[(1-methylbenzimidazol-2-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632872
3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine (CID 83962035) is N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine is Cn1c(CCCNCc2ccccc2F)nc2ccccc21.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is ZSUWXEOOQQEYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-22-17-10-5-4-9-16(17)21-18(22)11-6-12-20-13-14-7-2-3-8-15(14)19/h2-5,7-10,20H,6,11-13H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine?
N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 297.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(1-methylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 83962035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).