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

C11H15FN4 — CID 103295352

IUPACN'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C11H15FN4/c1-16(6-2-5-13)11-14-9-4-3-8(12)7-10(9)15-11/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyXEOYLFLYBMAUAI-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.49
Rot. Bonds4

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

N'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine (PubChem CID 103295352) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is N'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine
PubChem CID103295352
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC NameN'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C11H15FN4/c1-16(6-2-5-13)11-14-9-4-3-8(12)7-10(9)15-11/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyXEOYLFLYBMAUAI-UHFFFAOYSA-N
XLogP1.49
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
CID 103295608
N-(2-bromopropyl)-6-fluoro-N-methyl-1H-benzimidazol-2-amine
CID 103295600
N'-cyclopentyl-N'-(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diamine
CID 103295528
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
N-butyl-N-methyl-1H-benzimidazol-2-amine
CID 71723451
2-N-(2-ethoxyethyl)-2-N-methyl-3H-benzimidazole-2,5-diamine
CID 81059763
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine
CID 138474768
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
5-[1H-benzimidazol-2-yl(methyl)amino]pentan-1-ol
CID 107203344
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640

Frequently Asked Questions

What is the IUPAC name of N'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine (CID 103295352) is N'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine is CN(CCCN)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is XEOYLFLYBMAUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4/c1-16(6-2-5-13)11-14-9-4-3-8(12)7-10(9)15-11/h3-4,7H,2,5-6,13H2,1H3,(H,14,15).
What are the key properties of N'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine?
N'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 222.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-fluoro-1H-benzimidazol-2-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 103295352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).