N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide

C16H22N4O — CID 66131145

IUPACN,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
SMILESCCCn1cncc1CNc1cccc(C(=O)NC)c1C
InChIInChI=1S/C16H22N4O/c1-4-8-20-11-18-9-13(20)10-19-15-7-5-6-14(12(15)2)16(21)17-3/h5-7,9,11,19H,4,8,10H2,1-3H3,(H,17,21)
InChIKeyLHRRCUFBMTYPIB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.57
Rot. Bonds6

About N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide

N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide (PubChem CID 66131145) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
PubChem CID66131145
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
SMILESCCCn1cncc1CNc1cccc(C(=O)NC)c1C
InChIInChI=1S/C16H22N4O/c1-4-8-20-11-18-9-13(20)10-19-15-7-5-6-14(12(15)2)16(21)17-3/h5-7,9,11,19H,4,8,10H2,1-3H3,(H,17,21)
InChIKeyLHRRCUFBMTYPIB-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66130936
N,2-dimethyl-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66411550
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
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43734492
2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133336
2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 66130148
N-[(3-propylimidazol-4-yl)methyl]quinolin-8-amine
CID 66135184
N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 66132713
3-[(5-ethylfuran-2-yl)methylamino]-N,2-dimethylbenzamide
CID 62345277

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide?
The IUPAC name of N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide (CID 66131145) is N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide is CCCn1cncc1CNc1cccc(C(=O)NC)c1C.
What is the InChIKey of N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide?
The InChIKey is LHRRCUFBMTYPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-8-20-11-18-9-13(20)10-19-15-7-5-6-14(12(15)2)16(21)17-3/h5-7,9,11,19H,4,8,10H2,1-3H3,(H,17,21).
What are the key properties of N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide?
N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide has a molecular weight of 286.38 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 66131145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).