N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine

C21H20N6O — CID 50963605

IUPACN-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine
SMILESCOc1ncc(-c2c(-c3ccccc3)ncn2CCNc2cccnc2)cn1
InChIInChI=1S/C21H20N6O/c1-28-21-24-12-17(13-25-21)20-19(16-6-3-2-4-7-16)26-15-27(20)11-10-23-18-8-5-9-22-14-18/h2-9,12-15,23H,10-11H2,1H3
InChIKeyXGIUBJDDIZUAEQ-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.52
Rot. Bonds7

About N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine

N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine (PubChem CID 50963605) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine
PubChem CID50963605
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine
SMILESCOc1ncc(-c2c(-c3ccccc3)ncn2CCNc2cccnc2)cn1
InChIInChI=1S/C21H20N6O/c1-28-21-24-12-17(13-25-21)20-19(16-6-3-2-4-7-16)26-15-27(20)11-10-23-18-8-5-9-22-14-18/h2-9,12-15,23H,10-11H2,1H3
InChIKeyXGIUBJDDIZUAEQ-UHFFFAOYSA-N
XLogP3.52
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,5-diphenyl-1-propylimidazole
CID 14950648
5-[5-phenyl-3-(2-pyridin-3-yloxypropyl)imidazol-4-yl]pyrimidin-2-amine
CID 50960962
2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one
CID 56917426
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
4-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
CID 50985644
4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol
CID 50978507
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline
CID 62565856
1-[3-[(3-methoxyphenyl)methoxy]propyl]-4,5-diphenylimidazole
CID 10179002
1-[3-(3-ethoxypropoxy)propyl]-4,5-diphenylimidazole
CID 10133391
4-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]pyridine
CID 50957636
1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
CID 10202731
1-methyl-5-phenyl-N-[2-(pyridin-3-ylamino)ethyl]pyrrole-2-carboxamide
CID 77085057

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine?
The IUPAC name of N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine (CID 50963605) is N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine.
What is the SMILES notation for N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine?
The canonical SMILES for N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine is COc1ncc(-c2c(-c3ccccc3)ncn2CCNc2cccnc2)cn1.
What is the InChIKey of N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine?
The InChIKey is XGIUBJDDIZUAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-28-21-24-12-17(13-25-21)20-19(16-6-3-2-4-7-16)26-15-27(20)11-10-23-18-8-5-9-22-14-18/h2-9,12-15,23H,10-11H2,1H3.
What are the key properties of N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine?
N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine has a molecular weight of 372.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methoxypyrimidin-5-yl)-4-phenylimidazol-1-yl]ethyl]pyridin-3-amine is sourced from PubChem (CID 50963605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).