3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one

C22H28N4O — CID 172968530

IUPAC3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCN(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O/c1-24(18-8-3-2-4-9-18)14-7-15-25-16-12-19(13-17-25)26-21-11-6-5-10-20(21)23-22(26)27/h2-6,8-11,19H,7,12-17H2,1H3,(H,23,27)
InChIKeyICDKYEKLGMDDRX-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.49
Rot. Bonds6

About 3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 172968530) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID172968530
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCN(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C22H28N4O/c1-24(18-8-3-2-4-9-18)14-7-15-25-16-12-19(13-17-25)26-21-11-6-5-10-20(21)23-22(26)27/h2-6,8-11,19H,7,12-17H2,1H3,(H,23,27)
InChIKeyICDKYEKLGMDDRX-UHFFFAOYSA-N
XLogP3.49
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12763869
3-[1-[3-[ethyl(methyl)amino]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968531
3-[1-(4,4-dimethoxybutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968490
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345
3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968543
2-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 18187410
3-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968501
3-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968593
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 58160538

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 172968530) is 3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one is CN(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccccc1.
What is the InChIKey of 3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is ICDKYEKLGMDDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-24(18-8-3-2-4-9-18)14-7-15-25-16-12-19(13-17-25)26-21-11-6-5-10-20(21)23-22(26)27/h2-6,8-11,19H,7,12-17H2,1H3,(H,23,27).
What are the key properties of 3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 172968530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).