N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide

C16H22N4O — CID 66130279

IUPACN-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNCc2cncn2C(C)C)cc1
InChIInChI=1S/C16H22N4O/c1-12(2)20-11-19-10-15(20)9-18-8-13-4-6-14(7-5-13)16(21)17-3/h4-7,10-12,18H,8-9H2,1-3H3,(H,17,21)
InChIKeyXZMCKSKRSATZRG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.11
Rot. Bonds6

About N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide

N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide (PubChem CID 66130279) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide
PubChem CID66130279
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNCc2cncn2C(C)C)cc1
InChIInChI=1S/C16H22N4O/c1-12(2)20-11-19-10-15(20)9-18-8-13-4-6-14(7-5-13)16(21)17-3/h4-7,10-12,18H,8-9H2,1-3H3,(H,17,21)
InChIKeyXZMCKSKRSATZRG-UHFFFAOYSA-N
XLogP2.11
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66161982
N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66131281
1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66129481
ethyl 2-[(3-propan-2-ylimidazol-4-yl)methylamino]acetate
CID 66132120
N-methyl-4-[(1H-pyrrol-3-ylmethylamino)methyl]benzamide
CID 66409354
4-[[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]methyl]-N-methylbenzamide
CID 51104983
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405
1-(3-propan-2-ylimidazol-4-yl)propan-2-one
CID 83873505
3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66164185
N-cyclopropyl-3-[(3-propan-2-ylimidazol-4-yl)methylamino]propanamide
CID 79385761
1-methyl-4-[[[4-(methylcarbamoyl)phenyl]methylamino]methyl]pyrazole-5-carboxylic acid
CID 166253855
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide (CID 66130279) is N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide is CNC(=O)c1ccc(CNCc2cncn2C(C)C)cc1.
What is the InChIKey of N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide?
The InChIKey is XZMCKSKRSATZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)20-11-19-10-15(20)9-18-8-13-4-6-14(7-5-13)16(21)17-3/h4-7,10-12,18H,8-9H2,1-3H3,(H,17,21).
What are the key properties of N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide?
N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide has a molecular weight of 286.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 66130279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).