tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate

C24H27ClN4O4 — CID 77201508

IUPACtert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2nc(CC(NC(=O)OC(C)(C)C)c3ccccc3)[nH]c2Cl)cc1
InChIInChI=1S/C24H27ClN4O4/c1-24(2,3)33-23(31)27-18(15-8-6-5-7-9-15)14-19-28-20(21(25)29-19)16-10-12-17(13-11-16)26-22(30)32-4/h5-13,18H,14H2,1-4H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyCVTCNLFBAWDEJC-UHFFFAOYSA-N
MW470.96 g/mol
LogP5.72
Rot. Bonds6

About tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate

tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate (PubChem CID 77201508) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate
PubChem CID77201508
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC Nametert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2nc(CC(NC(=O)OC(C)(C)C)c3ccccc3)[nH]c2Cl)cc1
InChIInChI=1S/C24H27ClN4O4/c1-24(2,3)33-23(31)27-18(15-8-6-5-7-9-15)14-19-28-20(21(25)29-19)16-10-12-17(13-11-16)26-22(30)32-4/h5-13,18H,14H2,1-4H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyCVTCNLFBAWDEJC-UHFFFAOYSA-N
XLogP5.72
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.96
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[4-[5-chloro-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-1H-imidazol-4-yl]anilino]-2-methyl-3-oxopropanoate
CID 66938704
tert-butyl N-[(1S)-2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-(1-methylpyrazol-3-yl)ethyl]carbamate
CID 66938572
tert-butyl N-[2-[5-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate
CID 77201538
tert-butyl N-[[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]methyl]carbamate
CID 59151723
benzyl 3-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 76693908
tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-(4-oxocyclohexyl)ethyl]carbamate
CID 66938799
tert-butyl N-[(1S)-1-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-2-(1-methylpyrazol-4-yl)ethyl]carbamate
CID 66938490
tert-butyl N-[(1S)-2-[6-(hydroxymethyl)-5-[4-(methoxycarbonylamino)phenyl]pyridazin-3-yl]-1-phenylethyl]carbamate
CID 66698513
tert-butyl N-[1-[5-chloro-4-[4-[4-[5-chloro-2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]carbamate
CID 123251841
methyl N-[4-[5-chloro-2-[1-[3-(3-chloro-2,6-difluorophenyl)prop-2-enoylamino]-2-phenylethyl]-1H-imidazol-4-yl]phenyl]carbamate
CID 66938724
tert-butyl N-[(1R)-3-(4-bromoanilino)-3-oxo-1-phenylpropyl]carbamate
CID 140535621
tert-butyl N-[2-[5-[3-fluoro-4-(methoxycarbonylamino)phenyl]-6-oxo-1H-pyridazin-3-yl]-1-phenylethyl]carbamate
CID 123283208

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate (CID 77201508) is tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate is COC(=O)Nc1ccc(-c2nc(CC(NC(=O)OC(C)(C)C)c3ccccc3)[nH]c2Cl)cc1.
What is the InChIKey of tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate?
The InChIKey is CVTCNLFBAWDEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c1-24(2,3)33-23(31)27-18(15-8-6-5-7-9-15)14-19-28-20(21(25)29-19)16-10-12-17(13-11-16)26-22(30)32-4/h5-13,18H,14H2,1-4H3,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate?
tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate has a molecular weight of 470.96 g/mol, XLogP of 5.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-chloro-4-[4-(methoxycarbonylamino)phenyl]-1H-imidazol-2-yl]-1-phenylethyl]carbamate is sourced from PubChem (CID 77201508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).