N-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide

C20H26N4O3 — CID 166281422

IUPACN-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H26N4O3/c1-15(2)24(14-18-21-8-9-22(18)3)20(26)17-6-4-16(5-7-17)19(25)23-10-12-27-13-11-23/h4-9,15H,10-14H2,1-3H3
InChIKeyMBMTWNHFCJURDP-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.94
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide

N-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide (PubChem CID 166281422) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide
PubChem CID166281422
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H26N4O3/c1-15(2)24(14-18-21-8-9-22(18)3)20(26)17-6-4-16(5-7-17)19(25)23-10-12-27-13-11-23/h4-9,15H,10-14H2,1-3H3
InChIKeyMBMTWNHFCJURDP-UHFFFAOYSA-N
XLogP1.94
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide (CID 166281422) is N-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide is CC(C)N(Cc1nccn1C)C(=O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide?
The InChIKey is MBMTWNHFCJURDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-15(2)24(14-18-21-8-9-22(18)3)20(26)17-6-4-16(5-7-17)19(25)23-10-12-27-13-11-23/h4-9,15H,10-14H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide?
N-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide has a molecular weight of 370.45 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-4-(morpholine-4-carbonyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 166281422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).