5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine

C13H16FN3O2 — CID 63597894

IUPAC5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2CC1CCOC1
InChIInChI=1S/C13H16FN3O2/c1-18-12-5-11-10(4-9(12)14)16-13(15)17(11)6-8-2-3-19-7-8/h4-5,8H,2-3,6-7H2,1H3,(H2,15,16)
InChIKeyTXVKDSPDKWAGQQ-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.80
Rot. Bonds3

About 5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine

5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine (PubChem CID 63597894) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
PubChem CID63597894
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2CC1CCOC1
InChIInChI=1S/C13H16FN3O2/c1-18-12-5-11-10(4-9(12)14)16-13(15)17(11)6-8-2-3-19-7-8/h4-5,8H,2-3,6-7H2,1H3,(H2,15,16)
InChIKeyTXVKDSPDKWAGQQ-UHFFFAOYSA-N
XLogP1.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 66087092
5-chloro-6-fluoro-1-(oxan-4-ylmethyl)benzimidazol-2-amine
CID 66077538
6,7-difluoro-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 55119012
5,6-dimethoxy-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 83003239
2-(1-chloroethyl)-1-(cyclopentylmethyl)-5-fluoro-6-methoxybenzimidazole
CID 63599299
1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63597555
2-(1-chloroethyl)-5-fluoro-6-methyl-1-(oxolan-3-ylmethyl)benzimidazole
CID 103593678
5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine
CID 106406137
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazole
CID 66111998
5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine
CID 63599810
5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406219
2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)cyclohexan-1-ol
CID 63598582

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine (CID 63597894) is 5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine is COc1cc2c(cc1F)nc(N)n2CC1CCOC1.
What is the InChIKey of 5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine?
The InChIKey is TXVKDSPDKWAGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-18-12-5-11-10(4-9(12)14)16-13(15)17(11)6-8-2-3-19-7-8/h4-5,8H,2-3,6-7H2,1H3,(H2,15,16).
What are the key properties of 5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine?
5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine has a molecular weight of 265.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 63597894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).