methyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate

C19H26N2O2 — CID 71055320

IUPACmethyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate
SMILESCOC(=O)C1(C(C)C)N=CN(CC2CC2)C1c1ccc(C)cc1
InChIInChI=1S/C19H26N2O2/c1-13(2)19(18(22)23-4)17(16-9-5-14(3)6-10-16)21(12-20-19)11-15-7-8-15/h5-6,9-10,12-13,15,17H,7-8,11H2,1-4H3
InChIKeyPBYVWMFJNNWSGW-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.36
Rot. Bonds5

About methyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate

methyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate (PubChem CID 71055320) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is methyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate
PubChem CID71055320
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Namemethyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate
SMILESCOC(=O)C1(C(C)C)N=CN(CC2CC2)C1c1ccc(C)cc1
InChIInChI=1S/C19H26N2O2/c1-13(2)19(18(22)23-4)17(16-9-5-14(3)6-10-16)21(12-20-19)11-15-7-8-15/h5-6,9-10,12-13,15,17H,7-8,11H2,1-4H3
InChIKeyPBYVWMFJNNWSGW-UHFFFAOYSA-N
XLogP3.36
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate?
The IUPAC name of methyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate (CID 71055320) is methyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate?
The canonical SMILES for methyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate is COC(=O)C1(C(C)C)N=CN(CC2CC2)C1c1ccc(C)cc1.
What is the InChIKey of methyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate?
The InChIKey is PBYVWMFJNNWSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)19(18(22)23-4)17(16-9-5-14(3)6-10-16)21(12-20-19)11-15-7-8-15/h5-6,9-10,12-13,15,17H,7-8,11H2,1-4H3.
What are the key properties of methyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate?
methyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropylmethyl)-4-(4-methylphenyl)-5-propan-2-yl-4H-imidazole-5-carboxylate is sourced from PubChem (CID 71055320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).