1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea

C16H18N6O3 — CID 11624303

IUPAC1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(OC)c(-c3cnc(OC)nc3)cc2[nH]1
InChIInChI=1S/C16H18N6O3/c1-4-17-15(23)22-14-20-11-5-10(13(24-2)6-12(11)21-14)9-7-18-16(25-3)19-8-9/h5-8H,4H2,1-3H3,(H3,17,20,21,22,23)
InChIKeyADASGIIHCQJGMX-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.18
Rot. Bonds5

About 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea

1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea (PubChem CID 11624303) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea
PubChem CID11624303
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2cc(OC)c(-c3cnc(OC)nc3)cc2[nH]1
InChIInChI=1S/C16H18N6O3/c1-4-17-15(23)22-14-20-11-5-10(13(24-2)6-12(11)21-14)9-7-18-16(25-3)19-8-9/h5-8H,4H2,1-3H3,(H3,17,20,21,22,23)
InChIKeyADASGIIHCQJGMX-UHFFFAOYSA-N
XLogP2.18
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea (CID 11624303) is 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea is CCNC(=O)Nc1nc2cc(OC)c(-c3cnc(OC)nc3)cc2[nH]1.
What is the InChIKey of 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea?
The InChIKey is ADASGIIHCQJGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-4-17-15(23)22-14-20-11-5-10(13(24-2)6-12(11)21-14)9-7-18-16(25-3)19-8-9/h5-8H,4H2,1-3H3,(H3,17,20,21,22,23).
What are the key properties of 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea?
1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea has a molecular weight of 342.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-methoxy-6-(2-methoxypyrimidin-5-yl)-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 11624303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).