1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine

C17H22FN3 — CID 82336511

IUPAC1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine
SMILESC=CCN(CC=C)C(c1nc2ccc(F)cc2[nH]1)C(C)C
InChIInChI=1S/C17H22FN3/c1-5-9-21(10-6-2)16(12(3)4)17-19-14-8-7-13(18)11-15(14)20-17/h5-8,11-12,16H,1-2,9-10H2,3-4H3,(H,19,20)
InChIKeySNDOWOUUUXGXSB-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.07
Rot. Bonds7

About 1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine

1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine (PubChem CID 82336511) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine.

Molecular Properties

Compound Name1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine
PubChem CID82336511
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine
SMILESC=CCN(CC=C)C(c1nc2ccc(F)cc2[nH]1)C(C)C
InChIInChI=1S/C17H22FN3/c1-5-9-21(10-6-2)16(12(3)4)17-19-14-8-7-13(18)11-15(14)20-17/h5-8,11-12,16H,1-2,9-10H2,3-4H3,(H,19,20)
InChIKeySNDOWOUUUXGXSB-UHFFFAOYSA-N
XLogP4.07
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 82336531
1-(6-fluoro-1H-benzimidazol-2-yl)ethanol
CID 17010542
6-fluoro-2-[(1S)-1-(2-prop-2-enylphenoxy)ethyl]-1H-benzimidazole
CID 27408447
(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 6927588
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 82336369
2-[1-(azetidin-3-yl)ethyl]-6-fluoro-1H-benzimidazole
CID 116682100
(1R,2R,3R,4R)-1-(6-fluoro-1H-benzimidazol-2-yl)pentane-1,2,3,4-tetrol
CID 118128954
N-benzyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 82335842
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
2-[ethyl-[1-(6-fluoro-1H-benzimidazol-2-yl)propyl]amino]ethanol
CID 82336298
2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole
CID 82336282

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine?
The IUPAC name of 1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine (CID 82336511) is 1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine.
What is the SMILES notation for 1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine?
The canonical SMILES for 1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine is C=CCN(CC=C)C(c1nc2ccc(F)cc2[nH]1)C(C)C.
What is the InChIKey of 1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine?
The InChIKey is SNDOWOUUUXGXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-5-9-21(10-6-2)16(12(3)4)17-19-14-8-7-13(18)11-15(14)20-17/h5-8,11-12,16H,1-2,9-10H2,3-4H3,(H,19,20).
What are the key properties of 1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine?
1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-benzimidazol-2-yl)-2-methyl-N,N-bis(prop-2-enyl)propan-1-amine is sourced from PubChem (CID 82336511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).