N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C13H22N4O — CID 106981293

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCCc2ncc[nH]2)CCNC1
InChIInChI=1S/C13H22N4O/c1-10(2)13(4-6-14-9-13)12(18)17-5-3-11-15-7-8-16-11/h7-8,10,14H,3-6,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZGDFDCKQLREXNY-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.70
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106981293) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106981293
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCCc2ncc[nH]2)CCNC1
InChIInChI=1S/C13H22N4O/c1-10(2)13(4-6-14-9-13)12(18)17-5-3-11-15-7-8-16-11/h7-8,10,14H,3-6,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyZGDFDCKQLREXNY-UHFFFAOYSA-N
XLogP0.70
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106981293) is N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)NCCc2ncc[nH]2)CCNC1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is ZGDFDCKQLREXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)13(4-6-14-9-13)12(18)17-5-3-11-15-7-8-16-11/h7-8,10,14H,3-6,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106981293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).