methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate

C23H26N2O3 — CID 130300429

IUPACmethyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)CC2C(c3ccccc3)=C(C)c3cncn32)CC1
InChIInChI=1S/C23H26N2O3/c1-15-20-13-24-14-25(20)19(22(15)17-6-4-3-5-7-17)12-21(26)16-8-10-18(11-9-16)23(27)28-2/h3-7,13-14,16,18-19H,8-12H2,1-2H3
InChIKeyARDCOWSABWOQET-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.31
Rot. Bonds5

About methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate

methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate (PubChem CID 130300429) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate
PubChem CID130300429
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Namemethyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(C(=O)CC2C(c3ccccc3)=C(C)c3cncn32)CC1
InChIInChI=1S/C23H26N2O3/c1-15-20-13-24-14-25(20)19(22(15)17-6-4-3-5-7-17)12-21(26)16-8-10-18(11-9-16)23(27)28-2/h3-7,13-14,16,18-19H,8-12H2,1-2H3
InChIKeyARDCOWSABWOQET-UHFFFAOYSA-N
XLogP4.31
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate (CID 130300429) is methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate is COC(=O)C1CCC(C(=O)CC2C(c3ccccc3)=C(C)c3cncn32)CC1.
What is the InChIKey of methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate?
The InChIKey is ARDCOWSABWOQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-20-13-24-14-25(20)19(22(15)17-6-4-3-5-7-17)12-21(26)16-8-10-18(11-9-16)23(27)28-2/h3-7,13-14,16,18-19H,8-12H2,1-2H3.
What are the key properties of methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate?
methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 130300429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).