3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

C16H20N4O — CID 61108887

IUPAC3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCc1c(N)cccc1C(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C16H20N4O/c1-11-13(4-3-5-14(11)17)16(21)20(12-6-7-12)10-15-18-8-9-19(15)2/h3-5,8-9,12H,6-7,10,17H2,1-2H3
InChIKeyIPXDATOYEXBZAC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.12
Rot. Bonds4

About 3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 61108887) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID61108887
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCc1c(N)cccc1C(=O)N(Cc1nccn1C)C1CC1
InChIInChI=1S/C16H20N4O/c1-11-13(4-3-5-14(11)17)16(21)20(12-6-7-12)10-15-18-8-9-19(15)2/h3-5,8-9,12H,6-7,10,17H2,1-2H3
InChIKeyIPXDATOYEXBZAC-UHFFFAOYSA-N
XLogP2.12
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 106545014
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946346
3-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703
4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81226426
N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 56741582
3-amino-N-cyclopropyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 61108342
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 114559517
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide
CID 61051446
N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 60959154
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 61108887) is 3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is Cc1c(N)cccc1C(=O)N(Cc1nccn1C)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is IPXDATOYEXBZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-13(4-3-5-14(11)17)16(21)20(12-6-7-12)10-15-18-8-9-19(15)2/h3-5,8-9,12H,6-7,10,17H2,1-2H3.
What are the key properties of 3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 61108887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).