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

C23H30ClN5O — CID 171772748

IUPAC2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine
SMILESCC(C)(C)C1CN=C(c2ncc(N3CCOCC3)cc2NCc2ccc(Cl)cc2)N1
InChIInChI=1S/C23H30ClN5O/c1-23(2,3)20-15-27-22(28-20)21-19(25-13-16-4-6-17(24)7-5-16)12-18(14-26-21)29-8-10-30-11-9-29/h4-7,12,14,20,25H,8-11,13,15H2,1-3H3,(H,27,28)
InChIKeyQTVBTOBCRIHWAX-UHFFFAOYSA-N
MW427.98 g/mol
LogP3.95
Rot. Bonds5

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

2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine (PubChem CID 171772748) has the molecular formula C23H30ClN5O and a molecular weight of 427.98 g/mol. Its IUPAC name is 2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine
PubChem CID171772748
Molecular FormulaC23H30ClN5O
Molecular Weight427.98 g/mol
Exact Mass427.21
IUPAC Name2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine
SMILESCC(C)(C)C1CN=C(c2ncc(N3CCOCC3)cc2NCc2ccc(Cl)cc2)N1
InChIInChI=1S/C23H30ClN5O/c1-23(2,3)20-15-27-22(28-20)21-19(25-13-16-4-6-17(24)7-5-16)12-18(14-26-21)29-8-10-30-11-9-29/h4-7,12,14,20,25H,8-11,13,15H2,1-3H3,(H,27,28)
InChIKeyQTVBTOBCRIHWAX-UHFFFAOYSA-N
XLogP3.95
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine with MolForge

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Related Compounds

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
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
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390
5-chloro-N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylaniline
CID 91674330
N-[(4-morpholin-4-ylphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
CID 83278309
3-[(3,5-dimethoxyphenyl)methylamino]-5-morpholin-4-ylpyridine-2-carbonitrile
CID 146296026
N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine
CID 107588098
N-[[4-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 62974165
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
[1-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]piperidin-4-yl]methanol
CID 110905943

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine?
The IUPAC name of 2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine (CID 171772748) is 2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for 2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for 2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine is CC(C)(C)C1CN=C(c2ncc(N3CCOCC3)cc2NCc2ccc(Cl)cc2)N1.
What is the InChIKey of 2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine?
The InChIKey is QTVBTOBCRIHWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN5O/c1-23(2,3)20-15-27-22(28-20)21-19(25-13-16-4-6-17(24)7-5-16)12-18(14-26-21)29-8-10-30-11-9-29/h4-7,12,14,20,25H,8-11,13,15H2,1-3H3,(H,27,28).
What are the key properties of 2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine?
2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine has a molecular weight of 427.98 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-4,5-dihydro-1H-imidazol-2-yl)-N-[(4-chlorophenyl)methyl]-5-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 171772748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).