1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea

C23H29N5O — CID 18532598

IUPAC1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1nc2ccccc2n1C
InChIInChI=1S/C23H29N5O/c1-26(17-18-10-12-19(13-11-18)28-14-6-3-7-15-28)23(29)24-16-22-25-20-8-4-5-9-21(20)27(22)2/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,24,29)
InChIKeyJJLHXCCBQYXWRD-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.91
Rot. Bonds5

About 1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea

1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea (PubChem CID 18532598) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea
PubChem CID18532598
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1nc2ccccc2n1C
InChIInChI=1S/C23H29N5O/c1-26(17-18-10-12-19(13-11-18)28-14-6-3-7-15-28)23(29)24-16-22-25-20-8-4-5-9-21(20)27(22)2/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,24,29)
InChIKeyJJLHXCCBQYXWRD-UHFFFAOYSA-N
XLogP3.91
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]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-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea?
The IUPAC name of 1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea (CID 18532598) is 1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1nc2ccccc2n1C.
What is the InChIKey of 1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea?
The InChIKey is JJLHXCCBQYXWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-26(17-18-10-12-19(13-11-18)28-14-6-3-7-15-28)23(29)24-16-22-25-20-8-4-5-9-21(20)27(22)2/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,24,29).
What are the key properties of 1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea?
1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea has a molecular weight of 391.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]-1-[(4-piperidin-1-ylphenyl)methyl]urea is sourced from PubChem (CID 18532598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).