2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine

C14H20FN3 — CID 112565050

IUPAC2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
SMILESCCCn1c(CC(C)(F)CN)nc2ccccc21
InChIInChI=1S/C14H20FN3/c1-3-8-18-12-7-5-4-6-11(12)17-13(18)9-14(2,15)10-16/h4-7H,3,8-10,16H2,1-2H3
InChIKeySBNCAGKQGXDGRW-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.68
Rot. Bonds5

About 2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine

2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine (PubChem CID 112565050) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
PubChem CID112565050
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine
SMILESCCCn1c(CC(C)(F)CN)nc2ccccc21
InChIInChI=1S/C14H20FN3/c1-3-8-18-12-7-5-4-6-11(12)17-13(18)9-14(2,15)10-16/h4-7H,3,8-10,16H2,1-2H3
InChIKeySBNCAGKQGXDGRW-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
CID 79753577
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870
1-methoxy-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754393
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
trifluoro-[(1-propylbenzimidazol-2-yl)methyl]boranuide
CID 79753961
1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
2-methyl-3-[(1-propylbenzimidazol-2-yl)methyl]pentan-3-ol
CID 79753325
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
4,4-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 79754432
[5-[(1-propylbenzimidazol-2-yl)methyl]thiophen-2-yl]methanamine
CID 79753969

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine (CID 112565050) is 2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine is CCCn1c(CC(C)(F)CN)nc2ccccc21.
What is the InChIKey of 2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is SBNCAGKQGXDGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-3-8-18-12-7-5-4-6-11(12)17-13(18)9-14(2,15)10-16/h4-7H,3,8-10,16H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine?
2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-3-(1-propylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 112565050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).