1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea

C16H20N4O — CID 113081661

IUPAC1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea
SMILESCn1c(CNC(=O)Nc2ccccc2)nc2c1CCCC2
InChIInChI=1S/C16H20N4O/c1-20-14-10-6-5-9-13(14)19-15(20)11-17-16(21)18-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H2,17,18,21)
InChIKeyXWYFSRXFWOMLAL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.62
Rot. Bonds3

About 1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea

1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea (PubChem CID 113081661) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea
PubChem CID113081661
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea
SMILESCn1c(CNC(=O)Nc2ccccc2)nc2c1CCCC2
InChIInChI=1S/C16H20N4O/c1-20-14-10-6-5-9-13(14)19-15(20)11-17-16(21)18-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H2,17,18,21)
InChIKeyXWYFSRXFWOMLAL-UHFFFAOYSA-N
XLogP2.62
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea 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-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea (CID 113081661) is 1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea is Cn1c(CNC(=O)Nc2ccccc2)nc2c1CCCC2.
What is the InChIKey of 1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea?
The InChIKey is XWYFSRXFWOMLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20-14-10-6-5-9-13(14)19-15(20)11-17-16(21)18-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H2,17,18,21).
What are the key properties of 1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea?
1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea has a molecular weight of 284.36 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-3-phenylurea is sourced from PubChem (CID 113081661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).