N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide

C19H23N5O — CID 14851641

IUPACN-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide
SMILESCc1cccc(C)c1N(CCn1ccnc1)C(=O)C(C)n1ccnc1
InChIInChI=1S/C19H23N5O/c1-15-5-4-6-16(2)18(15)24(12-11-22-9-7-20-13-22)19(25)17(3)23-10-8-21-14-23/h4-10,13-14,17H,11-12H2,1-3H3
InChIKeyDWZITVAMGKQICP-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.99
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide

N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide (PubChem CID 14851641) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide
PubChem CID14851641
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide
SMILESCc1cccc(C)c1N(CCn1ccnc1)C(=O)C(C)n1ccnc1
InChIInChI=1S/C19H23N5O/c1-15-5-4-6-16(2)18(15)24(12-11-22-9-7-20-13-22)19(25)17(3)23-10-8-21-14-23/h4-10,13-14,17H,11-12H2,1-3H3
InChIKeyDWZITVAMGKQICP-UHFFFAOYSA-N
XLogP2.99
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(6-imidazol-1-ylhexyl)propanamide
CID 14851645
N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-[4-(1H-imidazol-2-yl)butyl]propanamide
CID 70462467
4-imidazol-1-yl-1-(2-methylphenyl)butan-2-one
CID 20518887
(2R)-2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 94068052
N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide
CID 46339273
N-[2-(azepan-1-yl)ethyl]-2-imidazol-1-yl-N-methylpropanamide
CID 119072009
N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 42961250
(2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide
CID 95617382
2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide
CID 45171969
2-[3-imidazol-1-ylpropyl(methyl)amino]-N,N-dimethylpropanamide
CID 84592025
2-[N-(2-imidazol-1-ylethyl)-4-methylanilino]acetic acid
CID 54925615

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide (CID 14851641) is N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide is Cc1cccc(C)c1N(CCn1ccnc1)C(=O)C(C)n1ccnc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide?
The InChIKey is DWZITVAMGKQICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-15-5-4-6-16(2)18(15)24(12-11-22-9-7-20-13-22)19(25)17(3)23-10-8-21-14-23/h4-10,13-14,17H,11-12H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide?
N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide has a molecular weight of 337.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)propanamide is sourced from PubChem (CID 14851641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).