N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide

C14H17ClN4O — CID 56784832

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1N(C)C)n1ccnc1
InChIInChI=1S/C14H17ClN4O/c1-10(19-7-6-16-9-19)14(20)17-12-8-11(15)4-5-13(12)18(2)3/h4-10H,1-3H3,(H,17,20)
InChIKeyYVMZDNSGOIUJFS-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.80
Rot. Bonds4

About N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide

N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide (PubChem CID 56784832) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide
PubChem CID56784832
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1N(C)C)n1ccnc1
InChIInChI=1S/C14H17ClN4O/c1-10(19-7-6-16-9-19)14(20)17-12-8-11(15)4-5-13(12)18(2)3/h4-10H,1-3H3,(H,17,20)
InChIKeyYVMZDNSGOIUJFS-UHFFFAOYSA-N
XLogP2.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 131935802
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
N-(4-amino-2,6-dichlorophenyl)-2-imidazol-1-ylpropanamide
CID 16787449
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79204123
(2S)-2-[[5-chloro-2-(dimethylamino)phenyl]carbamoylamino]-N,N-dimethylpropanamide
CID 99835829
methyl 2-[[(2R)-2-imidazol-1-ylpropanoyl]amino]-5-propan-2-ylbenzoate
CID 95302502
N-[5-chloro-2-(dimethylamino)phenyl]-4-pyrazol-1-ylbenzamide
CID 55369232
N-(4-cyanophenyl)-2-imidazol-1-ylpropanamide
CID 43176830
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95773531
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide (CID 56784832) is N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide is CC(C(=O)Nc1cc(Cl)ccc1N(C)C)n1ccnc1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide?
The InChIKey is YVMZDNSGOIUJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-10(19-7-6-16-9-19)14(20)17-12-8-11(15)4-5-13(12)18(2)3/h4-10H,1-3H3,(H,17,20).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide?
N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide has a molecular weight of 292.77 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 56784832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).