butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate

C19H27N3O2 — CID 10268393

IUPACbutyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
SMILESCCCCOC(=O)NCCc1ncc(-c2ccc(CCC)cc2)[nH]1
InChIInChI=1S/C19H27N3O2/c1-3-5-13-24-19(23)20-12-11-18-21-14-17(22-18)16-9-7-15(6-4-2)8-10-16/h7-10,14H,3-6,11-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYWTRDLJELCMBNQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.10
Rot. Bonds9

About butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate

butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate (PubChem CID 10268393) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
PubChem CID10268393
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Namebutyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate
SMILESCCCCOC(=O)NCCc1ncc(-c2ccc(CCC)cc2)[nH]1
InChIInChI=1S/C19H27N3O2/c1-3-5-13-24-19(23)20-12-11-18-21-14-17(22-18)16-9-7-15(6-4-2)8-10-16/h7-10,14H,3-6,11-13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyYWTRDLJELCMBNQ-UHFFFAOYSA-N
XLogP4.10
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821
2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499
2-heptan-4-yl-5-(4-phenylphenyl)-1H-imidazole
CID 9923013
5-phenyl-2-undecan-6-yl-1H-imidazole
CID 9944114
5-(4-phenylphenyl)-2-undecan-6-yl-1H-imidazole
CID 10109974
(4-Amino-benzyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10731042
Benzyl-methyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10802230
methyl[(4-phenyl-1H-imidazol-2-yl)methyl]amine
CID 24971325
2-Methyl-4-Phenyl-1H-Imidazole
CID 594112
2-methyl-5-(4-phenylphenyl)-1H-imidazole
CID 44344607
methyl N-[(1S)-1-[(Z)-fluoro-[(2R)-2-[5-[4-[4-[2-[(1R,2Z)-2-[(2S)-1-fluoro-2-(methoxycarbonylamino)-3-methyl-butylidene]cyclopentyl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentylidene]methyl]-2-methyl-propyl]carbamate
CID 57404517
methyl N-[(14S)-14-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-9-oxo-8,16,18-triazatricyclo[13.2.1.02,7]octadeca-1(17),2(7),3,5,15-pentaen-5-yl]carbamate
CID 145977265

Frequently Asked Questions

What is the IUPAC name of butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The IUPAC name of butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate (CID 10268393) is butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate.
What is the SMILES notation for butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The canonical SMILES for butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate is CCCCOC(=O)NCCc1ncc(-c2ccc(CCC)cc2)[nH]1.
What is the InChIKey of butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
The InChIKey is YWTRDLJELCMBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-5-13-24-19(23)20-12-11-18-21-14-17(22-18)16-9-7-15(6-4-2)8-10-16/h7-10,14H,3-6,11-13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate?
butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate has a molecular weight of 329.44 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-[5-(4-propylphenyl)-1H-imidazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 10268393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).