N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide

C22H32N4O2 — CID 42819291

IUPACN-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1cc(C)ccc1C
InChIInChI=1S/C22H32N4O2/c1-4-22(27)26(10-9-24-11-13-28-14-12-24)17-21-23-7-8-25(21)16-20-15-18(2)5-6-19(20)3/h5-8,15H,4,9-14,16-17H2,1-3H3
InChIKeyVRCKTJQEVPBXLI-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.62
Rot. Bonds8

About N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide

N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 42819291) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID42819291
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESCCC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1cc(C)ccc1C
InChIInChI=1S/C22H32N4O2/c1-4-22(27)26(10-9-24-11-13-28-14-12-24)17-21-23-7-8-25(21)16-20-15-18(2)5-6-19(20)3/h5-8,15H,4,9-14,16-17H2,1-3H3
InChIKeyVRCKTJQEVPBXLI-UHFFFAOYSA-N
XLogP2.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide (CID 42819291) is N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide is CCC(=O)N(CCN1CCOCC1)Cc1nccn1Cc1cc(C)ccc1C.
What is the InChIKey of N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is VRCKTJQEVPBXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-4-22(27)26(10-9-24-11-13-28-14-12-24)17-21-23-7-8-25(21)16-20-15-18(2)5-6-19(20)3/h5-8,15H,4,9-14,16-17H2,1-3H3.
What are the key properties of N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide?
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 384.52 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 42819291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).