1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine

C15H20F3N3 — CID 115970648

IUPAC1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine
SMILESCCCc1nc2ccccc2n1C(C(N)CC)C(F)(F)F
InChIInChI=1S/C15H20F3N3/c1-3-7-13-20-11-8-5-6-9-12(11)21(13)14(10(19)4-2)15(16,17)18/h5-6,8-10,14H,3-4,7,19H2,1-2H3
InChIKeyLMCPNJPOEQCEKL-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.83
Rot. Bonds5

About 1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine

1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine (PubChem CID 115970648) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine
PubChem CID115970648
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine
SMILESCCCc1nc2ccccc2n1C(C(N)CC)C(F)(F)F
InChIInChI=1S/C15H20F3N3/c1-3-7-13-20-11-8-5-6-9-12(11)21(13)14(10(19)4-2)15(16,17)18/h5-6,8-10,14H,3-4,7,19H2,1-2H3
InChIKeyLMCPNJPOEQCEKL-UHFFFAOYSA-N
XLogP3.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine
CID 112632091
3-amino-4,4-dimethyl-2-(2-propylbenzimidazol-1-yl)pentan-1-ol
CID 114357790
ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
2-(2-butylbenzimidazol-1-yl)propan-1-amine
CID 82144544
N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
N'-hydroxy-3-(2-propylbenzimidazol-1-yl)pentanimidamide
CID 115970772
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
3,3-dimethyl-1-(2-propylbenzimidazol-1-yl)butan-2-amine
CID 112632168
1-(2-propylbenzimidazol-1-yl)butan-2-ol
CID 112632256
2-(5-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine
CID 115970610

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine (CID 115970648) is 1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine is CCCc1nc2ccccc2n1C(C(N)CC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine?
The InChIKey is LMCPNJPOEQCEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-3-7-13-20-11-8-5-6-9-12(11)21(13)14(10(19)4-2)15(16,17)18/h5-6,8-10,14H,3-4,7,19H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine?
1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine has a molecular weight of 299.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-propylbenzimidazol-1-yl)pentan-3-amine is sourced from PubChem (CID 115970648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).