N,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide

C25H32N4O2 — CID 21294545

IUPACN,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2nc(CCCOc3cccc(CN4CCCCC4)c3)[nH]c2c1
InChIInChI=1S/C25H32N4O2/c1-28(2)25(30)20-11-12-22-23(17-20)27-24(26-22)10-7-15-31-21-9-6-8-19(16-21)18-29-13-4-3-5-14-29/h6,8-9,11-12,16-17H,3-5,7,10,13-15,18H2,1-2H3,(H,26,27)
InChIKeyLRRBUAQYOQDTPU-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.26
Rot. Bonds8

About N,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide

N,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide (PubChem CID 21294545) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide
PubChem CID21294545
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2nc(CCCOc3cccc(CN4CCCCC4)c3)[nH]c2c1
InChIInChI=1S/C25H32N4O2/c1-28(2)25(30)20-11-12-22-23(17-20)27-24(26-22)10-7-15-31-21-9-6-8-19(16-21)18-29-13-4-3-5-14-29/h6,8-9,11-12,16-17H,3-5,7,10,13-15,18H2,1-2H3,(H,26,27)
InChIKeyLRRBUAQYOQDTPU-UHFFFAOYSA-N
XLogP4.26
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2-dihydropyrazol-3-one
CID 152781855
2-methoxy-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 70559206
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
CID 5105
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755
(E)-[1-amino-4-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]oxy]butylidene]urea
CID 24835910
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
4-(dimethylamino)-N-[2-[[1-oxo-4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,5-thiadiazol-3-yl]amino]ethyl]butanamide
CID 5489417
1-oxido-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pyridin-1-ium-3-carboxamide
CID 13277578
[methyl-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylcarbamothioyl]amino]urea
CID 57040317
N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
CID 14792225

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide (CID 21294545) is N,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide is CN(C)C(=O)c1ccc2nc(CCCOc3cccc(CN4CCCCC4)c3)[nH]c2c1.
What is the InChIKey of N,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is LRRBUAQYOQDTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-28(2)25(30)20-11-12-22-23(17-20)27-24(26-22)10-7-15-31-21-9-6-8-19(16-21)18-29-13-4-3-5-14-29/h6,8-9,11-12,16-17H,3-5,7,10,13-15,18H2,1-2H3,(H,26,27).
What are the key properties of N,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide?
N,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 21294545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).