N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide

C13H19N3O — CID 79209079

IUPACN-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1C2CCCCC21
InChIInChI=1S/C13H19N3O/c1-16(8-11-14-6-7-15-11)13(17)12-9-4-2-3-5-10(9)12/h6-7,9-10,12H,2-5,8H2,1H3,(H,14,15)
InChIKeyDBDUQNYNRWDBDG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.80
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 79209079) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID79209079
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1C2CCCCC21
InChIInChI=1S/C13H19N3O/c1-16(8-11-14-6-7-15-11)13(17)12-9-4-2-3-5-10(9)12/h6-7,9-10,12H,2-5,8H2,1H3,(H,14,15)
InChIKeyDBDUQNYNRWDBDG-UHFFFAOYSA-N
XLogP1.80
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092427
3-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 64517297
N-(1H-imidazol-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 64519230
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyloxolane-2-carboxamide
CID 103873085
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64852236
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940618
N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470400
N-(1H-imidazol-2-ylmethyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65160478
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 63929945
N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide
CID 81002280
2-[cyclopentyl-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]acetic acid
CID 64519851
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-piperidin-4-ylacetamide
CID 64518653

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide (CID 79209079) is N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1C2CCCCC21.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is DBDUQNYNRWDBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(8-11-14-6-7-15-11)13(17)12-9-4-2-3-5-10(9)12/h6-7,9-10,12H,2-5,8H2,1H3,(H,14,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 79209079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).