N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine

C22H28ClN5O — CID 171772733

IUPACN-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine
SMILESCC(C)C1CN=C(c2ncc(N3CCOCC3)cc2NCc2ccc(Cl)cc2)N1
InChIInChI=1S/C22H28ClN5O/c1-15(2)20-14-26-22(27-20)21-19(24-12-16-3-5-17(23)6-4-16)11-18(13-25-21)28-7-9-29-10-8-28/h3-6,11,13,15,20,24H,7-10,12,14H2,1-2H3,(H,26,27)
InChIKeyMFAGHIHTZONGQS-UHFFFAOYSA-N
MW413.95 g/mol
LogP3.56
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine

N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine (PubChem CID 171772733) has the molecular formula C22H28ClN5O and a molecular weight of 413.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine
PubChem CID171772733
Molecular FormulaC22H28ClN5O
Molecular Weight413.95 g/mol
Exact Mass413.20
IUPAC NameN-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine
SMILESCC(C)C1CN=C(c2ncc(N3CCOCC3)cc2NCc2ccc(Cl)cc2)N1
InChIInChI=1S/C22H28ClN5O/c1-15(2)20-14-26-22(27-20)21-19(24-12-16-3-5-17(23)6-4-16)11-18(13-25-21)28-7-9-29-10-8-28/h3-6,11,13,15,20,24H,7-10,12,14H2,1-2H3,(H,26,27)
InChIKeyMFAGHIHTZONGQS-UHFFFAOYSA-N
XLogP3.56
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine
CID 171772748
N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-nitroaniline
CID 2870795
3-chloro-N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylaniline
CID 91674333
3-[(4-chlorophenyl)methylamino]-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carbonitrile
CID 171772692
5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline
CID 91674330
4-[8-[(4-chlorophenyl)methyl]-5-[1-(oxan-4-yl)ethyl]-3,4,6,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaen-11-yl]morpholine
CID 146301116
3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile
CID 146296026
N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine
CID 107588098
1-cyclopropyl-N-[(4-morpholin-4-ylphenyl)methyl]propan-2-amine
CID 63988276
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390
N-[(4-morpholin-4-ylphenyl)methyl]-3-propan-2-yloxypyrazin-2-amine
CID 133442686
5-chloro-2-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43775985

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine (CID 171772733) is N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine is CC(C)C1CN=C(c2ncc(N3CCOCC3)cc2NCc2ccc(Cl)cc2)N1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine?
The InChIKey is MFAGHIHTZONGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O/c1-15(2)20-14-26-22(27-20)21-19(24-12-16-3-5-17(23)6-4-16)11-18(13-25-21)28-7-9-29-10-8-28/h3-6,11,13,15,20,24H,7-10,12,14H2,1-2H3,(H,26,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine?
N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine has a molecular weight of 413.95 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)pyridin-3-amine is sourced from PubChem (CID 171772733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).