2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide

C13H22N4O — CID 110467554

IUPAC2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCCCCN2CCCC2)[nH]1
InChIInChI=1S/C13H22N4O/c1-11-15-10-12(16-11)13(18)14-6-2-3-7-17-8-4-5-9-17/h10H,2-9H2,1H3,(H,14,18)(H,15,16)
InChIKeyUYYNJYFPWKNAIY-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.32
Rot. Bonds6

About 2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide

2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide (PubChem CID 110467554) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide
PubChem CID110467554
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCCCCN2CCCC2)[nH]1
InChIInChI=1S/C13H22N4O/c1-11-15-10-12(16-11)13(18)14-6-2-3-7-17-8-4-5-9-17/h10H,2-9H2,1H3,(H,14,18)(H,15,16)
InChIKeyUYYNJYFPWKNAIY-UHFFFAOYSA-N
XLogP1.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide
CID 138993912
2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
CID 110467560
4-amino-N-(3-piperidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 63102669
4,5-dichloro-N-(3-piperidin-1-ylpropyl)-1H-pyrrole-2-carboxamide
CID 78833399
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
5-amino-2-methyl-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61118452
2,5-dichloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114917609
N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
6-oxo-2-phenyl-N-(4-pyrrolidin-1-ylbutyl)-1H-pyrimidine-5-carboxamide
CID 70724558
6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 53035860
5-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 55229822
2-amino-5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 114923433

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide (CID 110467554) is 2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)NCCCCN2CCCC2)[nH]1.
What is the InChIKey of 2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide?
The InChIKey is UYYNJYFPWKNAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-15-10-12(16-11)13(18)14-6-2-3-7-17-8-4-5-9-17/h10H,2-9H2,1H3,(H,14,18)(H,15,16).
What are the key properties of 2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide?
2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-pyrrolidin-1-ylbutyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110467554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).