4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine

C12H11FN4O — CID 100708987

IUPAC4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine
SMILESCn1c(NCc2cocn2)nc2c(F)cccc21
InChIInChI=1S/C12H11FN4O/c1-17-10-4-2-3-9(13)11(10)16-12(17)14-5-8-6-18-7-15-8/h2-4,6-7H,5H2,1H3,(H,14,16)
InChIKeyNDCNWHFCPWIZQR-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.31
Rot. Bonds3

About 4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine

4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine (PubChem CID 100708987) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine
PubChem CID100708987
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine
SMILESCn1c(NCc2cocn2)nc2c(F)cccc21
InChIInChI=1S/C12H11FN4O/c1-17-10-4-2-3-9(13)11(10)16-12(17)14-5-8-6-18-7-15-8/h2-4,6-7H,5H2,1H3,(H,14,16)
InChIKeyNDCNWHFCPWIZQR-UHFFFAOYSA-N
XLogP2.31
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine (CID 100708987) is 4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine is Cn1c(NCc2cocn2)nc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine?
The InChIKey is NDCNWHFCPWIZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-17-10-4-2-3-9(13)11(10)16-12(17)14-5-8-6-18-7-15-8/h2-4,6-7H,5H2,1H3,(H,14,16).
What are the key properties of 4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine?
4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine has a molecular weight of 246.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-N-(1,3-oxazol-4-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 100708987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).