1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea

C19H16N4O2 — CID 118709921

IUPAC1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea
SMILESCNC(=O)Nc1nc2ccc(Oc3cccc4ccccc34)cc2[nH]1
InChIInChI=1S/C19H16N4O2/c1-20-19(24)23-18-21-15-10-9-13(11-16(15)22-18)25-17-8-4-6-12-5-2-3-7-14(12)17/h2-11H,1H3,(H3,20,21,22,23,24)
InChIKeyUSGMDOSUVOEMIJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.26
Rot. Bonds3

About 1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea

1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea (PubChem CID 118709921) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea
PubChem CID118709921
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea
SMILESCNC(=O)Nc1nc2ccc(Oc3cccc4ccccc34)cc2[nH]1
InChIInChI=1S/C19H16N4O2/c1-20-19(24)23-18-21-15-10-9-13(11-16(15)22-18)25-17-8-4-6-12-5-2-3-7-14(12)17/h2-11H,1H3,(H3,20,21,22,23,24)
InChIKeyUSGMDOSUVOEMIJ-UHFFFAOYSA-N
XLogP4.26
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea (CID 118709921) is 1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea is CNC(=O)Nc1nc2ccc(Oc3cccc4ccccc34)cc2[nH]1.
What is the InChIKey of 1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea?
The InChIKey is USGMDOSUVOEMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-20-19(24)23-18-21-15-10-9-13(11-16(15)22-18)25-17-8-4-6-12-5-2-3-7-14(12)17/h2-11H,1H3,(H3,20,21,22,23,24).
What are the key properties of 1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea?
1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea has a molecular weight of 332.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 118709921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).