3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide

C16H19N3O2 — CID 122572722

IUPAC3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCC1(COc2ccccc2)CC1
InChIInChI=1S/C16H19N3O2/c1-19-12-17-9-14(19)15(20)18-10-16(7-8-16)11-21-13-5-3-2-4-6-13/h2-6,9,12H,7-8,10-11H2,1H3,(H,18,20)
InChIKeyMJIWGXJTCYLTTB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.01
Rot. Bonds6

About 3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide

3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide (PubChem CID 122572722) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide
PubChem CID122572722
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCC1(COc2ccccc2)CC1
InChIInChI=1S/C16H19N3O2/c1-19-12-17-9-14(19)15(20)18-10-16(7-8-16)11-21-13-5-3-2-4-6-13/h2-6,9,12H,7-8,10-11H2,1H3,(H,18,20)
InChIKeyMJIWGXJTCYLTTB-UHFFFAOYSA-N
XLogP2.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide (CID 122572722) is 3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide is Cn1cncc1C(=O)NCC1(COc2ccccc2)CC1.
What is the InChIKey of 3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide?
The InChIKey is MJIWGXJTCYLTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19-12-17-9-14(19)15(20)18-10-16(7-8-16)11-21-13-5-3-2-4-6-13/h2-6,9,12H,7-8,10-11H2,1H3,(H,18,20).
What are the key properties of 3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide?
3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 122572722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).