5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine

C14H18ClFN4 — CID 66078129

IUPAC5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine
SMILESCN1CCC(Cn2c(N)nc3cc(Cl)c(F)cc32)CC1
InChIInChI=1S/C14H18ClFN4/c1-19-4-2-9(3-5-19)8-20-13-7-11(16)10(15)6-12(13)18-14(20)17/h6-7,9H,2-5,8H2,1H3,(H2,17,18)
InChIKeyDBWWULRIYBMFCY-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.75
Rot. Bonds2

About 5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine

5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine (PubChem CID 66078129) has the molecular formula C14H18ClFN4 and a molecular weight of 296.78 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine
PubChem CID66078129
Molecular FormulaC14H18ClFN4
Molecular Weight296.78 g/mol
Exact Mass296.12
IUPAC Name5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine
SMILESCN1CCC(Cn2c(N)nc3cc(Cl)c(F)cc32)CC1
InChIInChI=1S/C14H18ClFN4/c1-19-4-2-9(3-5-19)8-20-13-7-11(16)10(15)6-12(13)18-14(20)17/h6-7,9H,2-5,8H2,1H3,(H2,17,18)
InChIKeyDBWWULRIYBMFCY-UHFFFAOYSA-N
XLogP2.75
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine (CID 66078129) is 5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine is CN1CCC(Cn2c(N)nc3cc(Cl)c(F)cc32)CC1.
What is the InChIKey of 5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine?
The InChIKey is DBWWULRIYBMFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN4/c1-19-4-2-9(3-5-19)8-20-13-7-11(16)10(15)6-12(13)18-14(20)17/h6-7,9H,2-5,8H2,1H3,(H2,17,18).
What are the key properties of 5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine?
5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine has a molecular weight of 296.78 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 66078129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).