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'}

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Related Compounds

N-methyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 46662294
1-benzyl-1,2-dimethyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine;hydroiodide
CID 110951605
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 77081858
1-[(4-methoxyphenyl)methyl]-1,2-dimethyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111272567
N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 46662340
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509662
(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide
CID 97064350
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390
3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 38949614

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).