4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine

C12H12FN5 — CID 55171384

IUPAC4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
SMILESCn1ccnc1Cn1c(N)nc2c(F)cccc21
InChIInChI=1S/C12H12FN5/c1-17-6-5-15-10(17)7-18-9-4-2-3-8(13)11(9)16-12(18)14/h2-6H,7H2,1H3,(H2,14,16)
InChIKeyMKCJDSALWVBLIM-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.54
Rot. Bonds2

About 4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine

4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine (PubChem CID 55171384) has the molecular formula C12H12FN5 and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
PubChem CID55171384
Molecular FormulaC12H12FN5
Molecular Weight245.26 g/mol
Exact Mass245.11
IUPAC Name4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
SMILESCn1ccnc1Cn1c(N)nc2c(F)cccc21
InChIInChI=1S/C12H12FN5/c1-17-6-5-15-10(17)7-18-9-4-2-3-8(13)11(9)16-12(18)14/h2-6H,7H2,1H3,(H2,14,16)
InChIKeyMKCJDSALWVBLIM-UHFFFAOYSA-N
XLogP1.54
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine (CID 55171384) is 4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine is Cn1ccnc1Cn1c(N)nc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is MKCJDSALWVBLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5/c1-17-6-5-15-10(17)7-18-9-4-2-3-8(13)11(9)16-12(18)14/h2-6H,7H2,1H3,(H2,14,16).
What are the key properties of 4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine?
4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 245.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 55171384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).