N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide

C19H28N4O — CID 126824390

IUPACN-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccc(CCN(C)C)cc1)n1ccnc1
InChIInChI=1S/C19H28N4O/c1-15(2)13-18(23-12-10-20-14-23)19(24)21-17-7-5-16(6-8-17)9-11-22(3)4/h5-8,10,12,14-15,18H,9,11,13H2,1-4H3,(H,21,24)
InChIKeyFVEKNTGCRFHUMA-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.21
Rot. Bonds8

About N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide

N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide (PubChem CID 126824390) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide
PubChem CID126824390
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccc(CCN(C)C)cc1)n1ccnc1
InChIInChI=1S/C19H28N4O/c1-15(2)13-18(23-12-10-20-14-23)19(24)21-17-7-5-16(6-8-17)9-11-22(3)4/h5-8,10,12,14-15,18H,9,11,13H2,1-4H3,(H,21,24)
InChIKeyFVEKNTGCRFHUMA-UHFFFAOYSA-N
XLogP3.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4-methylphenyl)-2-pyrrol-1-ylpentanamide
CID 3506875
N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide
CID 174566783
(2S)-N-(1-hydroxypropan-2-yl)-2-imidazol-1-yl-4-methylpentanamide
CID 141169436
[4-[2-(dimethylamino)ethyl]phenyl]urea
CID 150231962
4-(2,5-dimethylphenyl)-2-imidazol-1-yl-4-oxo-N-phenylbutanamide
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2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide
CID 47054929
(2R)-2-imidazol-1-yl-N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]propanamide
CID 94441337
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176830
N-[2-amino-2-(2-methoxyphenyl)ethyl]-2-imidazol-1-yl-4-methylpentanamide
CID 154843972
N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60509170
2-(2-chloro-3-pyridinyl)-N-[4-[2-(dimethylamino)ethyl]phenyl]acetamide
CID 126836207
4-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)aniline
CID 115876906

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide (CID 126824390) is N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide is CC(C)CC(C(=O)Nc1ccc(CCN(C)C)cc1)n1ccnc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide?
The InChIKey is FVEKNTGCRFHUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15(2)13-18(23-12-10-20-14-23)19(24)21-17-7-5-16(6-8-17)9-11-22(3)4/h5-8,10,12,14-15,18H,9,11,13H2,1-4H3,(H,21,24).
What are the key properties of N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide?
N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide has a molecular weight of 328.46 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethyl]phenyl]-2-imidazol-1-yl-4-methylpentanamide is sourced from PubChem (CID 126824390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).