1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine

C16H20N4O — CID 106571459

IUPAC1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H20N4O/c1-2-7-17-16-18-8-9-20(16)15-5-3-14(4-6-15)19-10-12-21-13-11-19/h2-6,8-9H,1,7,10-13H2,(H,17,18)
InChIKeyVJFGHUKAFUHVQM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.31
Rot. Bonds5

About 1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine

1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106571459) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106571459
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1-c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H20N4O/c1-2-7-17-16-18-8-9-20(16)15-5-3-14(4-6-15)19-10-12-21-13-11-19/h2-6,8-9H,1,7,10-13H2,(H,17,18)
InChIKeyVJFGHUKAFUHVQM-UHFFFAOYSA-N
XLogP2.31
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine
CID 106558616
4-(4-prop-2-enylphenyl)morpholine
CID 70631563
N-propan-2-yl-1-(4-pyrrolidin-1-ylphenyl)imidazol-2-amine
CID 106571578
N-[(1-methylimidazol-2-yl)methyl]-4-morpholin-4-ylaniline
CID 60685164
1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106555655
1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine
CID 106576416
4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
CID 63180269
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
4-(4-pyridin-4-ylphenyl)morpholine
CID 91005781
1-(2,4-dimorpholin-4-ylphenyl)-3-prop-2-enylthiourea
CID 8654277
4-(4-imidazo[1,2-a]pyridin-7-ylphenyl)morpholine
CID 139495834
4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882667

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine (CID 106571459) is 1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1-c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is VJFGHUKAFUHVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-7-17-16-18-8-9-20(16)15-5-3-14(4-6-15)19-10-12-21-13-11-19/h2-6,8-9H,1,7,10-13H2,(H,17,18).
What are the key properties of 1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine?
1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106571459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).