N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide

C20H28N4O — CID 91911684

IUPACN-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(c3ncc(C)n3C(C)C)C2)cc1
InChIInChI=1S/C20H28N4O/c1-14(2)24-16(4)11-21-19(24)18-9-10-23(13-18)20(25)22-12-17-7-5-15(3)6-8-17/h5-8,11,14,18H,9-10,12-13H2,1-4H3,(H,22,25)
InChIKeyAVDKTDMETLUMLP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.78
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide

N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 91911684) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID91911684
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCC(c3ncc(C)n3C(C)C)C2)cc1
InChIInChI=1S/C20H28N4O/c1-14(2)24-16(4)11-21-19(24)18-9-10-23(13-18)20(25)22-12-17-7-5-15(3)6-8-17/h5-8,11,14,18H,9-10,12-13H2,1-4H3,(H,22,25)
InChIKeyAVDKTDMETLUMLP-UHFFFAOYSA-N
XLogP3.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide (CID 91911684) is N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCC(c3ncc(C)n3C(C)C)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is AVDKTDMETLUMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)24-16(4)11-21-19(24)18-9-10-23(13-18)20(25)22-12-17-7-5-15(3)6-8-17/h5-8,11,14,18H,9-10,12-13H2,1-4H3,(H,22,25).
What are the key properties of N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide?
N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-3-(5-methyl-1-propan-2-ylimidazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91911684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).