6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine

C15H22FN3 — CID 106026592

IUPAC6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine
SMILESCCCCC(CCC)Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H22FN3/c1-3-5-7-12(6-4-2)17-15-18-13-9-8-11(16)10-14(13)19-15/h8-10,12H,3-7H2,1-2H3,(H2,17,18,19)
InChIKeyIDNKJCZDWZQBSF-UHFFFAOYSA-N
MW263.36 g/mol
LogP4.47
Rot. Bonds7

About 6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine

6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine (PubChem CID 106026592) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine
PubChem CID106026592
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine
SMILESCCCCC(CCC)Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H22FN3/c1-3-5-7-12(6-4-2)17-15-18-13-9-8-11(16)10-14(13)19-15/h8-10,12H,3-7H2,1-2H3,(H2,17,18,19)
InChIKeyIDNKJCZDWZQBSF-UHFFFAOYSA-N
XLogP4.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-nitro-N-octan-4-yl-1H-benzimidazol-2-amine
CID 106026432
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine
CID 103294950
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786
3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 103294842
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol
CID 103294929
6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine
CID 103294716
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
N-(4-chloro-2-ethylbutyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295597
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103295085
5-fluoro-2-(octan-4-ylamino)benzonitrile
CID 106024591
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine (CID 106026592) is 6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine is CCCCC(CCC)Nc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine?
The InChIKey is IDNKJCZDWZQBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-3-5-7-12(6-4-2)17-15-18-13-9-8-11(16)10-14(13)19-15/h8-10,12H,3-7H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine?
6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine has a molecular weight of 263.36 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine is sourced from PubChem (CID 106026592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).