N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C24H32Cl2N4O — CID 119868689

IUPACN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C24H30N4O.2ClH/c1-18(21-10-12-25-13-11-21)14-24(29)26-15-19-6-8-20(9-7-19)16-28-17-27-22-4-2-3-5-23(22)28;;/h2-9,17-18,21,25H,10-16H2,1H3,(H,26,29);2*1H
InChIKeyZQWOLVZBBFMTHR-UHFFFAOYSA-N
MW463.45 g/mol
LogP4.57
Rot. Bonds7

About N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119868689) has the molecular formula C24H32Cl2N4O and a molecular weight of 463.45 g/mol. Its IUPAC name is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119868689
Molecular FormulaC24H32Cl2N4O
Molecular Weight463.45 g/mol
Exact Mass462.20
IUPAC NameN-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C24H30N4O.2ClH/c1-18(21-10-12-25-13-11-21)14-24(29)26-15-19-6-8-20(9-7-19)16-28-17-27-22-4-2-3-5-23(22)28;;/h2-9,17-18,21,25H,10-16H2,1H3,(H,26,29);2*1H
InChIKeyZQWOLVZBBFMTHR-UHFFFAOYSA-N
XLogP4.57
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 119866382
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119699555
(2S)-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 122081440
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
2-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799330
3-piperidin-4-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide;hydrochloride
CID 122084280
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 52514252
3-piperidin-4-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]butanamide
CID 119699236

Frequently Asked Questions

What is the IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119868689) is N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is ZQWOLVZBBFMTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O.2ClH/c1-18(21-10-12-25-13-11-21)14-24(29)26-15-19-6-8-20(9-7-19)16-28-17-27-22-4-2-3-5-23(22)28;;/h2-9,17-18,21,25H,10-16H2,1H3,(H,26,29);2*1H.
What are the key properties of N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 463.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119868689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).