1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea

C17H18N4O2 — CID 893836

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C17H18N4O2/c1-11-18-14-10-12(8-9-15(14)21(11)2)19-17(22)20-13-6-4-5-7-16(13)23-3/h4-10H,1-3H3,(H2,19,20,22)
InChIKeyOYLXHWQXPINEBE-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.53
Rot. Bonds3

About 1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea

1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea (PubChem CID 893836) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea
PubChem CID893836
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C17H18N4O2/c1-11-18-14-10-12(8-9-15(14)21(11)2)19-17(22)20-13-6-4-5-7-16(13)23-3/h4-10H,1-3H3,(H2,19,20,22)
InChIKeyOYLXHWQXPINEBE-UHFFFAOYSA-N
XLogP3.53
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea (CID 893836) is 1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is OYLXHWQXPINEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-18-14-10-12(8-9-15(14)21(11)2)19-17(22)20-13-6-4-5-7-16(13)23-3/h4-10H,1-3H3,(H2,19,20,22).
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea?
1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 310.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 893836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).