N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide

C15H20N4O — CID 63293605

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCc1nccn1C
InChIInChI=1S/C15H20N4O/c1-11(2)18-13-7-5-4-6-12(13)15(20)17-10-14-16-8-9-19(14)3/h4-9,11,18H,10H2,1-3H3,(H,17,20)
InChIKeyVDLBHEGIMSXYJT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.17
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide

N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide (PubChem CID 63293605) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide
PubChem CID63293605
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)NCc1nccn1C
InChIInChI=1S/C15H20N4O/c1-11(2)18-13-7-5-4-6-12(13)15(20)17-10-14-16-8-9-19(14)3/h4-9,11,18H,10H2,1-3H3,(H,17,20)
InChIKeyVDLBHEGIMSXYJT-UHFFFAOYSA-N
XLogP2.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63237643
2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)benzamide
CID 63107619
2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110475162
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
2-amino-3-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 110451079
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961
4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113304577

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide (CID 63293605) is N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide is CC(C)Nc1ccccc1C(=O)NCc1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide?
The InChIKey is VDLBHEGIMSXYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)18-13-7-5-4-6-12(13)15(20)17-10-14-16-8-9-19(14)3/h4-9,11,18H,10H2,1-3H3,(H,17,20).
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide?
N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 63293605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).