[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate

C22H19N3O3 — CID 69371809

IUPAC[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCCc1ccc(Oc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N3O3/c1-2-14-3-7-16(8-4-14)27-17-9-5-15(6-10-17)21-24-19-12-11-18(28-22(23)26)13-20(19)25-21/h3-13H,2H2,1H3,(H2,23,26)(H,24,25)
InChIKeySJGZJEBBNGLBCX-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.04
Rot. Bonds5

About [2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate

[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate (PubChem CID 69371809) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate.

Molecular Properties

Compound Name[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
PubChem CID69371809
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCCc1ccc(Oc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N3O3/c1-2-14-3-7-16(8-4-14)27-17-9-5-15(6-10-17)21-24-19-12-11-18(28-22(23)26)13-20(19)25-21/h3-13H,2H2,1H3,(H2,23,26)(H,24,25)
InChIKeySJGZJEBBNGLBCX-UHFFFAOYSA-N
XLogP5.04
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate?
The IUPAC name of [2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate (CID 69371809) is [2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate.
What is the SMILES notation for [2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate?
The canonical SMILES for [2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate is CCc1ccc(Oc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2)cc1.
What is the InChIKey of [2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate?
The InChIKey is SJGZJEBBNGLBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-2-14-3-7-16(8-4-14)27-17-9-5-15(6-10-17)21-24-19-12-11-18(28-22(23)26)13-20(19)25-21/h3-13H,2H2,1H3,(H2,23,26)(H,24,25).
What are the key properties of [2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate?
[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate has a molecular weight of 373.41 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate is sourced from PubChem (CID 69371809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).