1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea

C15H22N4O2 — CID 111478766

IUPAC1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
SMILESCC(O)CC(C)(C)CNC(=O)Nn1cnc2ccccc21
InChIInChI=1S/C15H22N4O2/c1-11(20)8-15(2,3)9-16-14(21)18-19-10-17-12-6-4-5-7-13(12)19/h4-7,10-11,20H,8-9H2,1-3H3,(H2,16,18,21)
InChIKeyQTMFMPGPRVPBRY-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.09
Rot. Bonds5

About 1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea

1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea (PubChem CID 111478766) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
PubChem CID111478766
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
SMILESCC(O)CC(C)(C)CNC(=O)Nn1cnc2ccccc21
InChIInChI=1S/C15H22N4O2/c1-11(20)8-15(2,3)9-16-14(21)18-19-10-17-12-6-4-5-7-13(12)19/h4-7,10-11,20H,8-9H2,1-3H3,(H2,16,18,21)
InChIKeyQTMFMPGPRVPBRY-UHFFFAOYSA-N
XLogP2.09
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The IUPAC name of 1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea (CID 111478766) is 1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea is CC(O)CC(C)(C)CNC(=O)Nn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
The InChIKey is QTMFMPGPRVPBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(20)8-15(2,3)9-16-14(21)18-19-10-17-12-6-4-5-7-13(12)19/h4-7,10-11,20H,8-9H2,1-3H3,(H2,16,18,21).
What are the key properties of 1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea?
1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea has a molecular weight of 290.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea is sourced from PubChem (CID 111478766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).