4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide

C18H24N4O2 — CID 38103395

IUPAC4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H24N4O2/c23-18(20-6-1-8-21-10-12-24-13-11-21)17-4-2-16(3-5-17)14-22-9-7-19-15-22/h2-5,7,9,15H,1,6,8,10-14H2,(H,20,23)
InChIKeySPXPJKGRXYEYSM-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.38
Rot. Bonds7

About 4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide

4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 38103395) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID38103395
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C18H24N4O2/c23-18(20-6-1-8-21-10-12-24-13-11-21)17-4-2-16(3-5-17)14-22-9-7-19-15-22/h2-5,7,9,15H,1,6,8,10-14H2,(H,20,23)
InChIKeySPXPJKGRXYEYSM-UHFFFAOYSA-N
XLogP1.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 91642297
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55721620
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906
N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43910415
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 38103395) is 4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is SPXPJKGRXYEYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-18(20-6-1-8-21-10-12-24-13-11-21)17-4-2-16(3-5-17)14-22-9-7-19-15-22/h2-5,7,9,15H,1,6,8,10-14H2,(H,20,23).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide?
4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 328.42 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 38103395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).