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

C21H15Cl2N3O3 — CID 69372375

IUPAC[2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCc1ccc(Oc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2Cl)cc1Cl
InChIInChI=1S/C21H15Cl2N3O3/c1-11-2-4-13(9-15(11)22)28-19-7-3-12(8-16(19)23)20-25-17-6-5-14(29-21(24)27)10-18(17)26-20/h2-10H,1H3,(H2,24,27)(H,25,26)
InChIKeyOCLWKYIIOYWSQP-UHFFFAOYSA-N
MW428.28 g/mol
LogP6.09
Rot. Bonds4

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

[2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate (PubChem CID 69372375) has the molecular formula C21H15Cl2N3O3 and a molecular weight of 428.28 g/mol. Its IUPAC name is [2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate.

Molecular Properties

Compound Name[2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
PubChem CID69372375
Molecular FormulaC21H15Cl2N3O3
Molecular Weight428.28 g/mol
Exact Mass427.05
IUPAC Name[2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCc1ccc(Oc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2Cl)cc1Cl
InChIInChI=1S/C21H15Cl2N3O3/c1-11-2-4-13(9-15(11)22)28-19-7-3-12(8-16(19)23)20-25-17-6-5-14(29-21(24)27)10-18(17)26-20/h2-10H,1H3,(H2,24,27)(H,25,26)
InChIKeyOCLWKYIIOYWSQP-UHFFFAOYSA-N
XLogP6.09
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.28
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 68839327
2-[3-chloro-4-(3,4-dimethoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 68841961
[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371809
(3-chloro-4-methylphenyl) carbamate
CID 18431892
[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69346240
[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371270
[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate
CID 69373002
[2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343445
[2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343119
[2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371891
[2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69342788
[2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343226

Frequently Asked Questions

What is the IUPAC name of [2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate?
The IUPAC name of [2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate (CID 69372375) is [2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate.
What is the SMILES notation for [2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate?
The canonical SMILES for [2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate is Cc1ccc(Oc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2Cl)cc1Cl.
What is the InChIKey of [2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate?
The InChIKey is OCLWKYIIOYWSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O3/c1-11-2-4-13(9-15(11)22)28-19-7-3-12(8-16(19)23)20-25-17-6-5-14(29-21(24)27)10-18(17)26-20/h2-10H,1H3,(H2,24,27)(H,25,26).
What are the key properties of [2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate?
[2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate has a molecular weight of 428.28 g/mol, XLogP of 6.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate is sourced from PubChem (CID 69372375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).