5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide

C20H30N4O — CID 141021624

IUPAC5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCN2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N4O/c21-18(25)17-15(23-19(24-17)16-2-1-5-22-16)3-4-20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14,16,22H,1-11H2,(H2,21,25)(H,23,24)
InChIKeySXNQSBZAXJTWCV-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.08
Rot. Bonds5

About 5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide

5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide (PubChem CID 141021624) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide
PubChem CID141021624
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide
SMILESNC(=O)c1nc(C2CCCN2)[nH]c1CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N4O/c21-18(25)17-15(23-19(24-17)16-2-1-5-22-16)3-4-20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14,16,22H,1-11H2,(H2,21,25)(H,23,24)
InChIKeySXNQSBZAXJTWCV-UHFFFAOYSA-N
XLogP3.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide?
The IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide (CID 141021624) is 5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide is NC(=O)c1nc(C2CCCN2)[nH]c1CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide?
The InChIKey is SXNQSBZAXJTWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c21-18(25)17-15(23-19(24-17)16-2-1-5-22-16)3-4-20-9-12-6-13(10-20)8-14(7-12)11-20/h12-14,16,22H,1-11H2,(H2,21,25)(H,23,24).
What are the key properties of 5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide?
5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-adamantyl)ethyl]-2-pyrrolidin-2-yl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 141021624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).