benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate

C35H35N3O3 — CID 141026510

IUPACbenzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate
SMILESO=C(N[C@@H](COc1ccc(-c2nc3ccccc3n2C2CCCCC2)cc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C35H35N3O3/c39-35(41-24-26-12-4-1-5-13-26)37-32(27-14-6-2-7-15-27)25-40-30-22-20-28(21-23-30)34-36-31-18-10-11-19-33(31)38(34)29-16-8-3-9-17-29/h1-2,4-7,10-15,18-23,29,32H,3,8-9,16-17,24-25H2,(H,37,39)/t32-/m0/s1
InChIKeyVLVBBZOTGXSQGB-YTTGMZPUSA-N
MW545.68 g/mol
LogP8.26
Rot. Bonds9

About benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate

benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate (PubChem CID 141026510) has the molecular formula C35H35N3O3 and a molecular weight of 545.68 g/mol. Its IUPAC name is benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate
PubChem CID141026510
Molecular FormulaC35H35N3O3
Molecular Weight545.68 g/mol
Exact Mass545.27
IUPAC Namebenzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate
SMILESO=C(N[C@@H](COc1ccc(-c2nc3ccccc3n2C2CCCCC2)cc1)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C35H35N3O3/c39-35(41-24-26-12-4-1-5-13-26)37-32(27-14-6-2-7-15-27)25-40-30-22-20-28(21-23-30)34-36-31-18-10-11-19-33(31)38(34)29-16-8-3-9-17-29/h1-2,4-7,10-15,18-23,29,32H,3,8-9,16-17,24-25H2,(H,37,39)/t32-/m0/s1
InChIKeyVLVBBZOTGXSQGB-YTTGMZPUSA-N
XLogP8.26
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.68
LogP ≤ 58.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-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

1-cyclohexyl-2-[4-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)ethoxy]phenyl]benzimidazole-5-carboxylic acid
CID 69470368
2-[1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazol-5-yl]-2-formamidoacetic acid
CID 87847801
1-cyclohexyl-2-[4-(3,3-diphenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10165388
1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole
CID 150379591
1-cyclohexyl-2-[4-(3-phenylpropoxy)phenyl]benzimidazole-5-carboxylic acid
CID 10275979
benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267835
methyl 1-cyclohexyl-2-[4-(naphthalen-2-ylmethoxy)phenyl]benzimidazole-5-carboxylate
CID 59016327
1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 23515913
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate (CID 141026510) is benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate is O=C(N[C@@H](COc1ccc(-c2nc3ccccc3n2C2CCCCC2)cc1)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate?
The InChIKey is VLVBBZOTGXSQGB-YTTGMZPUSA-N. The full InChI is InChI=1S/C35H35N3O3/c39-35(41-24-26-12-4-1-5-13-26)37-32(27-14-6-2-7-15-27)25-40-30-22-20-28(21-23-30)34-36-31-18-10-11-19-33(31)38(34)29-16-8-3-9-17-29/h1-2,4-7,10-15,18-23,29,32H,3,8-9,16-17,24-25H2,(H,37,39)/t32-/m0/s1.
What are the key properties of benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate?
benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate has a molecular weight of 545.68 g/mol, XLogP of 8.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate is sourced from PubChem (CID 141026510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).