1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea

C22H31N5O3 — CID 52516653

IUPAC1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea
SMILESCC(C)C[C@H](CNC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)N1CCOCC1
InChIInChI=1S/C22H31N5O3/c1-16(2)14-19(27-10-12-30-13-11-27)15-24-22(29)25-18-6-4-17(5-7-18)20(28)21-23-8-9-26(21)3/h4-9,16,19H,10-15H2,1-3H3,(H2,24,25,29)/t19-/m1/s1
InChIKeyRPANCZYTDXMDDG-LJQANCHMSA-N
MW413.52 g/mol
LogP2.52
Rot. Bonds8

About 1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea

1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea (PubChem CID 52516653) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea.

Molecular Properties

Compound Name1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea
PubChem CID52516653
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea
SMILESCC(C)C[C@H](CNC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)N1CCOCC1
InChIInChI=1S/C22H31N5O3/c1-16(2)14-19(27-10-12-30-13-11-27)15-24-22(29)25-18-6-4-17(5-7-18)20(28)21-23-8-9-26(21)3/h4-9,16,19H,10-15H2,1-3H3,(H2,24,25,29)/t19-/m1/s1
InChIKeyRPANCZYTDXMDDG-LJQANCHMSA-N
XLogP2.52
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide
CID 55834797
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
CID 55520723
1-[2-(N-methylanilino)propyl]-3-[4-(1-methylimidazole-2-carbonyl)phenyl]urea
CID 51115577
N-[2-methoxy-4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]phenyl]acetamide
CID 55744114
1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea
CID 52518973
1-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94030429
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
1-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]-3-[(2S)-4-methyl-2-morpholin-4-ylpentyl]urea
CID 52518349
6-chloro-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 134027027
4-(methanesulfonamido)-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]benzamide
CID 25331278
1-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyrazole-4-carboxamide
CID 43050213
N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide
CID 51187686

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea?
The IUPAC name of 1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea (CID 52516653) is 1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea.
What is the SMILES notation for 1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea?
The canonical SMILES for 1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea is CC(C)C[C@H](CNC(=O)Nc1ccc(C(=O)c2nccn2C)cc1)N1CCOCC1.
What is the InChIKey of 1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea?
The InChIKey is RPANCZYTDXMDDG-LJQANCHMSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-16(2)14-19(27-10-12-30-13-11-27)15-24-22(29)25-18-6-4-17(5-7-18)20(28)21-23-8-9-26(21)3/h4-9,16,19H,10-15H2,1-3H3,(H2,24,25,29)/t19-/m1/s1.
What are the key properties of 1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea?
1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea has a molecular weight of 413.52 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea is sourced from PubChem (CID 52516653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).