1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea

C16H15ClN4O2 — CID 71655466

IUPAC1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2ccc(Oc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C16H15ClN4O2/c1-2-18-16(22)21-15-19-12-8-7-10(9-13(12)20-15)23-14-6-4-3-5-11(14)17/h3-9H,2H2,1H3,(H3,18,19,20,21,22)
InChIKeyDHRPZHABLDFGJJ-UHFFFAOYSA-N
MW330.78 g/mol
LogP4.15
Rot. Bonds4

About 1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea

1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea (PubChem CID 71655466) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea
PubChem CID71655466
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2ccc(Oc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C16H15ClN4O2/c1-2-18-16(22)21-15-19-12-8-7-10(9-13(12)20-15)23-14-6-4-3-5-11(14)17/h3-9H,2H2,1H3,(H3,18,19,20,21,22)
InChIKeyDHRPZHABLDFGJJ-UHFFFAOYSA-N
XLogP4.15
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Triclabendazole
CID 50248
Oxibendazole
CID 4622
Triclabendazole sulfoxide
CID 127657
methyl N-[6-(4-{[(2,5-difluorophenyl)carbamoyl]amino}phenoxy)-1H-1,3-benzodiazol-2-yl]carbamate
CID 10161259
methyl N-(5-(4-((3-chlorophenyl)aminocarbonylamino)phenoxy)-1H-benzimidazol-2-yl)carbamate
CID 10204357
N-[2-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451757
N-[3-(5-chloro-2-ethoxy-6-methoxybenzimidazol-1-yl)propyl]acetamide
CID 139451766
CID 139451790
CID 139451790
methyl N-(6-phenoxy-1H-benzimidazol-2-yl)carbamate
CID 10636692
Carbamic acid, (oxybis(1H-benzimidazole-5,2-diyl))bis-, dimethyl ester
CID 399813
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-chlorophenoxy)acetamide
CID 2066617
methyl N-(6-{4-[(phenylcarbamoyl)amino]phenoxy}-1H-1,3-benzodiazol-2-yl)carbamate
CID 17755137

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea?
The IUPAC name of 1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea (CID 71655466) is 1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea?
The canonical SMILES for 1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea is CCNC(=O)Nc1nc2ccc(Oc3ccccc3Cl)cc2[nH]1.
What is the InChIKey of 1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea?
The InChIKey is DHRPZHABLDFGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-2-18-16(22)21-15-19-12-8-7-10(9-13(12)20-15)23-14-6-4-3-5-11(14)17/h3-9H,2H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea?
1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea has a molecular weight of 330.78 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chlorophenoxy)-1H-benzimidazol-2-yl]-3-ethylurea is sourced from PubChem (CID 71655466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).