5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide

C14H24N4O — CID 56722012

IUPAC5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NCC1CCN(CC(C)C)C1
InChIInChI=1S/C14H24N4O/c1-10(2)7-18-5-4-12(8-18)6-15-14(19)13-11(3)16-9-17-13/h9-10,12H,4-8H2,1-3H3,(H,15,19)(H,16,17)
InChIKeySOSRXKMAKOKAPP-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.43
Rot. Bonds5

About 5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide

5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide (PubChem CID 56722012) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide
PubChem CID56722012
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)NCC1CCN(CC(C)C)C1
InChIInChI=1S/C14H24N4O/c1-10(2)7-18-5-4-12(8-18)6-15-14(19)13-11(3)16-9-17-13/h9-10,12H,4-8H2,1-3H3,(H,15,19)(H,16,17)
InChIKeySOSRXKMAKOKAPP-UHFFFAOYSA-N
XLogP1.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide (CID 56722012) is 5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)NCC1CCN(CC(C)C)C1.
What is the InChIKey of 5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide?
The InChIKey is SOSRXKMAKOKAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)7-18-5-4-12(8-18)6-15-14(19)13-11(3)16-9-17-13/h9-10,12H,4-8H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide?
5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 56722012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).