3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one

C18H20F2N4O2 — CID 146363504

IUPAC3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one
SMILESCC(C)OCCn1c(Cn2cccc(N)c2=O)nc2cc(F)c(F)cc21
InChIInChI=1S/C18H20F2N4O2/c1-11(2)26-7-6-24-16-9-13(20)12(19)8-15(16)22-17(24)10-23-5-3-4-14(21)18(23)25/h3-5,8-9,11H,6-7,10,21H2,1-2H3
InChIKeyIZZHHYLEQCEXAP-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.53
Rot. Bonds6

About 3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one

3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one (PubChem CID 146363504) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is 3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one
PubChem CID146363504
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one
SMILESCC(C)OCCn1c(Cn2cccc(N)c2=O)nc2cc(F)c(F)cc21
InChIInChI=1S/C18H20F2N4O2/c1-11(2)26-7-6-24-16-9-13(20)12(19)8-15(16)22-17(24)10-23-5-3-4-14(21)18(23)25/h3-5,8-9,11H,6-7,10,21H2,1-2H3
InChIKeyIZZHHYLEQCEXAP-UHFFFAOYSA-N
XLogP2.53
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one with MolForge

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Related Compounds

3-amino-1-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]pyridin-2-one
CID 146348514
methyl N-[1-[[1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]-2-oxo-3-pyridinyl]amino]-7-(dimethylamino)-1,7-dioxohept-5-en-2-yl]carbamate
CID 175137807
2-[1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]ethanamine
CID 63636171
2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82146164
[2-[(3-amino-2-oxo-1-pyridinyl)methyl]-4-propan-2-yloxybenzimidazol-1-yl] thiohypofluorite
CID 153402733
5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole
CID 113450562
2-ethyl-1-(2-propan-2-yloxyethyl)benzimidazole
CID 115571125
3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline
CID 94757335
6-chloro-2-(chloromethyl)-5-fluoro-1-(4-propan-2-yloxybutyl)benzimidazole
CID 106005099
3-amino-1-[(1-methyltetrazol-5-yl)methyl]pyridin-2-one
CID 165473375
1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763114
6-methyl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 104763119

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one (CID 146363504) is 3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one is CC(C)OCCn1c(Cn2cccc(N)c2=O)nc2cc(F)c(F)cc21.
What is the InChIKey of 3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one?
The InChIKey is IZZHHYLEQCEXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-11(2)26-7-6-24-16-9-13(20)12(19)8-15(16)22-17(24)10-23-5-3-4-14(21)18(23)25/h3-5,8-9,11H,6-7,10,21H2,1-2H3.
What are the key properties of 3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one?
3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one has a molecular weight of 362.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[5,6-difluoro-1-(2-propan-2-yloxyethyl)benzimidazol-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 146363504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).