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

C12H17FN4 — CID 103295277

IUPAC1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)CNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H17FN4/c1-7(2)9(14)6-15-12-16-10-4-3-8(13)5-11(10)17-12/h3-5,7,9H,6,14H2,1-2H3,(H2,15,16,17)
InChIKeyQUZCTWQXZHUSFU-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.10
Rot. Bonds4

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

1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine (PubChem CID 103295277) has the molecular formula C12H17FN4 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
PubChem CID103295277
Molecular FormulaC12H17FN4
Molecular Weight236.29 g/mol
Exact Mass236.14
IUPAC Name1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)CNc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C12H17FN4/c1-7(2)9(14)6-15-12-16-10-4-3-8(13)5-11(10)17-12/h3-5,7,9H,6,14H2,1-2H3,(H2,15,16,17)
InChIKeyQUZCTWQXZHUSFU-UHFFFAOYSA-N
XLogP2.10
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,4-dimethylpentyl)-6-fluoro-1H-benzimidazol-2-amine
CID 107156214
N-(4-chloro-2-ethylbutyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295597
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
6-fluoro-N-(5-methylhexan-2-yl)-1H-benzimidazol-2-amine
CID 103294950
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
6-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-benzimidazol-2-amine
CID 103294777
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103295091
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294770
3-N-(6-fluoro-1H-benzimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 103294842
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine?
The IUPAC name of 1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine (CID 103295277) is 1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine is CC(C)C(N)CNc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine?
The InChIKey is QUZCTWQXZHUSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4/c1-7(2)9(14)6-15-12-16-10-4-3-8(13)5-11(10)17-12/h3-5,7,9H,6,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine?
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine has a molecular weight of 236.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 103295277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).