1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea

C22H27N5O — CID 74250997

IUPAC1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea
SMILESCn1cnc2ccc(NC(=O)NCC3CCN(Cc4ccccc4)CC3)cc21
InChIInChI=1S/C22H27N5O/c1-26-16-24-20-8-7-19(13-21(20)26)25-22(28)23-14-17-9-11-27(12-10-17)15-18-5-3-2-4-6-18/h2-8,13,16-17H,9-12,14-15H2,1H3,(H2,23,25,28)
InChIKeyLYUMRRIMAJWCJA-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.61
Rot. Bonds5

About 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea

1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea (PubChem CID 74250997) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea
PubChem CID74250997
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea
SMILESCn1cnc2ccc(NC(=O)NCC3CCN(Cc4ccccc4)CC3)cc21
InChIInChI=1S/C22H27N5O/c1-26-16-24-20-8-7-19(13-21(20)26)25-22(28)23-14-17-9-11-27(12-10-17)15-18-5-3-2-4-6-18/h2-8,13,16-17H,9-12,14-15H2,1H3,(H2,23,25,28)
InChIKeyLYUMRRIMAJWCJA-UHFFFAOYSA-N
XLogP3.61
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-3-(2-ethylpyrimidin-5-yl)urea
CID 99839974
1-[[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-ethylphenyl)urea
CID 22430384
5-benzyl-N-(3-methylbenzimidazol-5-yl)-1,2-oxazole-3-carboxamide
CID 167913151
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-ethylphenyl)urea
CID 23609169
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
1-(3,4-dimethylphenyl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 23607955
1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-(3,5-dimethylphenyl)urea
CID 22430442
1-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 23609187
1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methoxypropyl)urea
CID 47874249
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
N-[(1-benzylpiperidin-4-yl)methyl]-N'-(3-methylsulfanylphenyl)oxamide
CID 16886848

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea?
The IUPAC name of 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea (CID 74250997) is 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea.
What is the SMILES notation for 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea?
The canonical SMILES for 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea is Cn1cnc2ccc(NC(=O)NCC3CCN(Cc4ccccc4)CC3)cc21.
What is the InChIKey of 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea?
The InChIKey is LYUMRRIMAJWCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-26-16-24-20-8-7-19(13-21(20)26)25-22(28)23-14-17-9-11-27(12-10-17)15-18-5-3-2-4-6-18/h2-8,13,16-17H,9-12,14-15H2,1H3,(H2,23,25,28).
What are the key properties of 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea?
1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea has a molecular weight of 377.49 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea is sourced from PubChem (CID 74250997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).