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

C15H26N4O — CID 56870084

IUPACN,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)N(C)CC1CCN(CC(C)C)C1
InChIInChI=1S/C15H26N4O/c1-11(2)7-19-6-5-13(9-19)8-18(4)15(20)14-12(3)16-10-17-14/h10-11,13H,5-9H2,1-4H3,(H,16,17)
InChIKeyCBFIYAOPAXSPAL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.77
Rot. Bonds5

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

N,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide (PubChem CID 56870084) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide
PubChem CID56870084
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide
SMILESCc1[nH]cnc1C(=O)N(C)CC1CCN(CC(C)C)C1
InChIInChI=1S/C15H26N4O/c1-11(2)7-19-6-5-13(9-19)8-18(4)15(20)14-12(3)16-10-17-14/h10-11,13H,5-9H2,1-4H3,(H,16,17)
InChIKeyCBFIYAOPAXSPAL-UHFFFAOYSA-N
XLogP1.77
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide (CID 56870084) is N,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide is Cc1[nH]cnc1C(=O)N(C)CC1CCN(CC(C)C)C1.
What is the InChIKey of N,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide?
The InChIKey is CBFIYAOPAXSPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)7-19-6-5-13(9-19)8-18(4)15(20)14-12(3)16-10-17-14/h10-11,13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of N,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide?
N,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 56870084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).