2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide

C12H20N4O2 — CID 110467560

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCCCN2CCOCC2)[nH]1
InChIInChI=1S/C12H20N4O2/c1-10-14-9-11(15-10)12(17)13-3-2-4-16-5-7-18-8-6-16/h9H,2-8H2,1H3,(H,13,17)(H,14,15)
InChIKeyNJLZWDKDYQZRLB-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.17
Rot. Bonds5

About 2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide

2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide (PubChem CID 110467560) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
PubChem CID110467560
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCCCN2CCOCC2)[nH]1
InChIInChI=1S/C12H20N4O2/c1-10-14-9-11(15-10)12(17)13-3-2-4-16-5-7-18-8-6-16/h9H,2-8H2,1H3,(H,13,17)(H,14,15)
InChIKeyNJLZWDKDYQZRLB-UHFFFAOYSA-N
XLogP0.17
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide
CID 110467554
2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide
CID 138993912
N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261436
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62742878
N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide
CID 3732708
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342
4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19266741
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
2,4,5-trimethyl-N-(3-morpholin-4-ylpropyl)furan-3-carboxamide
CID 47136432

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide (CID 110467560) is 2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)NCCCN2CCOCC2)[nH]1.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide?
The InChIKey is NJLZWDKDYQZRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-10-14-9-11(15-10)12(17)13-3-2-4-16-5-7-18-8-6-16/h9H,2-8H2,1H3,(H,13,17)(H,14,15).
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide?
2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110467560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).