1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea

C15H27N5O2 — CID 56753238

IUPAC1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea
SMILESCc1ncc(CN2CCOC(CCNC(=O)NC(C)C)C2)[nH]1
InChIInChI=1S/C15H27N5O2/c1-11(2)18-15(21)16-5-4-14-10-20(6-7-22-14)9-13-8-17-12(3)19-13/h8,11,14H,4-7,9-10H2,1-3H3,(H,17,19)(H2,16,18,21)
InChIKeyUCEXEDRBXWSNOV-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.02
Rot. Bonds6

About 1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea

1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea (PubChem CID 56753238) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea
PubChem CID56753238
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea
SMILESCc1ncc(CN2CCOC(CCNC(=O)NC(C)C)C2)[nH]1
InChIInChI=1S/C15H27N5O2/c1-11(2)18-15(21)16-5-4-14-10-20(6-7-22-14)9-13-8-17-12(3)19-13/h8,11,14H,4-7,9-10H2,1-3H3,(H,17,19)(H2,16,18,21)
InChIKeyUCEXEDRBXWSNOV-UHFFFAOYSA-N
XLogP1.02
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea (CID 56753238) is 1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea is Cc1ncc(CN2CCOC(CCNC(=O)NC(C)C)C2)[nH]1.
What is the InChIKey of 1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea?
The InChIKey is UCEXEDRBXWSNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-11(2)18-15(21)16-5-4-14-10-20(6-7-22-14)9-13-8-17-12(3)19-13/h8,11,14H,4-7,9-10H2,1-3H3,(H,17,19)(H2,16,18,21).
What are the key properties of 1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea?
1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea has a molecular weight of 309.41 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2-methyl-1H-imidazol-5-yl)methyl]morpholin-2-yl]ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 56753238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).