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

C18H20N4O3 — CID 71655403

IUPAC1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2ccc(-c3c(OC)cccc3OC)cc2[nH]1
InChIInChI=1S/C18H20N4O3/c1-4-19-18(23)22-17-20-12-9-8-11(10-13(12)21-17)16-14(24-2)6-5-7-15(16)25-3/h5-10H,4H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyDVNYOCVSPZHKOX-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.39
Rot. Bonds5

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

1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea (PubChem CID 71655403) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea
PubChem CID71655403
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc2ccc(-c3c(OC)cccc3OC)cc2[nH]1
InChIInChI=1S/C18H20N4O3/c1-4-19-18(23)22-17-20-12-9-8-11(10-13(12)21-17)16-14(24-2)6-5-7-15(16)25-3/h5-10H,4H2,1-3H3,(H3,19,20,21,22,23)
InChIKeyDVNYOCVSPZHKOX-UHFFFAOYSA-N
XLogP3.39
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea?
The IUPAC name of 1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea (CID 71655403) is 1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea.
What is the SMILES notation for 1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea?
The canonical SMILES for 1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea is CCNC(=O)Nc1nc2ccc(-c3c(OC)cccc3OC)cc2[nH]1.
What is the InChIKey of 1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea?
The InChIKey is DVNYOCVSPZHKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-19-18(23)22-17-20-12-9-8-11(10-13(12)21-17)16-14(24-2)6-5-7-15(16)25-3/h5-10H,4H2,1-3H3,(H3,19,20,21,22,23).
What are the key properties of 1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea?
1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea has a molecular weight of 340.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,6-dimethoxyphenyl)-1H-benzimidazol-2-yl]-3-ethylurea is sourced from PubChem (CID 71655403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).