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

C15H18N4O — CID 60946346

IUPAC3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CN(C(=O)c1cccc(N)c1)C1CC1
InChIInChI=1S/C15H18N4O/c1-18-8-7-17-14(18)10-19(13-5-6-13)15(20)11-3-2-4-12(16)9-11/h2-4,7-9,13H,5-6,10,16H2,1H3
InChIKeyAYUKGKMZUMBBQM-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.81
Rot. Bonds4

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

3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 60946346) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID60946346
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CN(C(=O)c1cccc(N)c1)C1CC1
InChIInChI=1S/C15H18N4O/c1-18-8-7-17-14(18)10-19(13-5-6-13)15(20)11-3-2-4-12(16)9-11/h2-4,7-9,13H,5-6,10,16H2,1H3
InChIKeyAYUKGKMZUMBBQM-UHFFFAOYSA-N
XLogP1.81
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.81
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-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60946703
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61108887
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63977624
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
N-cyclohexyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 42796220
6-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridazine-3-carboxamide
CID 61051446
3-bromo-N-cyclopropyl-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 106545014
2-bromo-N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 114559517
2-amino-N-cyclopropyl-3-ethyl-N-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 70758986
4-chloro-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81226426

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 60946346) is 3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is Cn1ccnc1CN(C(=O)c1cccc(N)c1)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is AYUKGKMZUMBBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18-8-7-17-14(18)10-19(13-5-6-13)15(20)11-3-2-4-12(16)9-11/h2-4,7-9,13H,5-6,10,16H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
3-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 270.34 g/mol, XLogP of 1.81, 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-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 60946346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).