2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide

C15H20N4O — CID 66130936

IUPAC2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
SMILESCCCn1cncc1CNc1cccc(C(N)=O)c1C
InChIInChI=1S/C15H20N4O/c1-3-7-19-10-17-8-12(19)9-18-14-6-4-5-13(11(14)2)15(16)20/h4-6,8,10,18H,3,7,9H2,1-2H3,(H2,16,20)
InChIKeyXUQMHAKFGWEQFD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.31
Rot. Bonds6

About 2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide

2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide (PubChem CID 66130936) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
PubChem CID66130936
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
SMILESCCCn1cncc1CNc1cccc(C(N)=O)c1C
InChIInChI=1S/C15H20N4O/c1-3-7-19-10-17-8-12(19)9-18-14-6-4-5-13(11(14)2)15(16)20/h4-6,8,10,18H,3,7,9H2,1-2H3,(H2,16,20)
InChIKeyXUQMHAKFGWEQFD-UHFFFAOYSA-N
XLogP2.31
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131145
2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 66130148
2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 114254514
2-methyl-3-[(3-methylimidazol-4-yl)methylamino]benzoic acid
CID 66116637
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192
4-methoxy-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66131346
2-methyl-3-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62758134
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
N-[(3-propylimidazol-4-yl)methyl]quinolin-8-amine
CID 66135184
N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66411550
N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 66132713

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide?
The IUPAC name of 2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide (CID 66130936) is 2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide.
What is the SMILES notation for 2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide?
The canonical SMILES for 2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide is CCCn1cncc1CNc1cccc(C(N)=O)c1C.
What is the InChIKey of 2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide?
The InChIKey is XUQMHAKFGWEQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-7-19-10-17-8-12(19)9-18-14-6-4-5-13(11(14)2)15(16)20/h4-6,8,10,18H,3,7,9H2,1-2H3,(H2,16,20).
What are the key properties of 2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide?
2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide has a molecular weight of 272.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 66130936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).