4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine

C20H18FN5O — CID 56553986

IUPAC4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine
SMILESCc1nc2ccccc2n1CCNc1nccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C20H18FN5O/c1-14-24-17-4-2-3-5-18(17)26(14)13-12-23-20-22-11-10-19(25-20)27-16-8-6-15(21)7-9-16/h2-11H,12-13H2,1H3,(H,22,23,25)
InChIKeyDRAWBVHXSXPDAT-UHFFFAOYSA-N
MW363.40 g/mol
LogP4.18
Rot. Bonds6

About 4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine

4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine (PubChem CID 56553986) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine
PubChem CID56553986
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine
SMILESCc1nc2ccccc2n1CCNc1nccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C20H18FN5O/c1-14-24-17-4-2-3-5-18(17)26(14)13-12-23-20-22-11-10-19(25-20)27-16-8-6-15(21)7-9-16/h2-11H,12-13H2,1H3,(H,22,23,25)
InChIKeyDRAWBVHXSXPDAT-UHFFFAOYSA-N
XLogP4.18
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111353182
4-fluoro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 1447983
4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine
CID 56553608
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553337
N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 56553548
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110913889
2-(2-methylbenzimidazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62749627
4-(3,4-difluorophenoxy)-N-propylpyrimidin-2-amine
CID 80875190
3-[2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]ethyl]-5,5-dimethylpyrrolidin-2-one
CID 166271587
4-(4-fluorophenoxy)-N-[(2-piperidin-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 56574207
1-ethyl-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 111351714

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine (CID 56553986) is 4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine is Cc1nc2ccccc2n1CCNc1nccc(Oc2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine?
The InChIKey is DRAWBVHXSXPDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c1-14-24-17-4-2-3-5-18(17)26(14)13-12-23-20-22-11-10-19(25-20)27-16-8-6-15(21)7-9-16/h2-11H,12-13H2,1H3,(H,22,23,25).
What are the key properties of 4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine?
4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine has a molecular weight of 363.40 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 56553986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).