3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C13H19FN4 — CID 103294842

IUPAC3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H19FN4/c1-9(6-7-18(2)3)15-13-16-11-5-4-10(14)8-12(11)17-13/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16,17)
InChIKeyTXHPGEPPTTUFJB-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.45
Rot. Bonds5

About 3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 103294842) has the molecular formula C13H19FN4 and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID103294842
Molecular FormulaC13H19FN4
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC Name3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H19FN4/c1-9(6-7-18(2)3)15-13-16-11-5-4-10(14)8-12(11)17-13/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16,17)
InChIKeyTXHPGEPPTTUFJB-UHFFFAOYSA-N
XLogP2.45
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine
CID 103294950
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
6-fluoro-N-octan-4-yl-1H-benzimidazol-2-amine
CID 106026592
6-fluoro-N-(1-pyridin-4-ylethyl)-1H-benzimidazol-2-amine
CID 103294716
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277
6-fluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 103295041
6-fluoro-N-(1-pyridin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103294715
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103295085
N-(6-fluoro-1H-benzimidazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103294912
6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103295220
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-3-phenylpropan-1-ol
CID 103294929

Frequently Asked Questions

What is the IUPAC name of 3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 103294842) is 3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine is CC(CCN(C)C)Nc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is TXHPGEPPTTUFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4/c1-9(6-7-18(2)3)15-13-16-11-5-4-10(14)8-12(11)17-13/h4-5,8-9H,6-7H2,1-3H3,(H2,15,16,17).
What are the key properties of 3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 250.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 103294842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).