2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane

C21H27N3 — CID 142062604

IUPAC2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
SMILESC.c1ccc(CC2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H23N3.CH4/c1-2-6-16(7-3-1)14-17-10-12-23(13-11-17)15-20-21-18-8-4-5-9-19(18)22-20;/h1-9,17H,10-15H2,(H,21,22);1H4
InChIKeyZNYZJHIZFOHBOR-UHFFFAOYSA-N
MW321.47 g/mol
LogP4.65
Rot. Bonds4

About 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane

2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane (PubChem CID 142062604) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane.

Molecular Properties

Compound Name2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
PubChem CID142062604
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
SMILESC.c1ccc(CC2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H23N3.CH4/c1-2-6-16(7-3-1)14-17-10-12-23(13-11-17)15-20-21-18-8-4-5-9-19(18)22-20;/h1-9,17H,10-15H2,(H,21,22);1H4
InChIKeyZNYZJHIZFOHBOR-UHFFFAOYSA-N
XLogP4.65
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole
CID 11325148
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
3-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 56879689
4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
CID 115314474
2-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 45199332
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
CID 104926835
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
2-[[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-5-ethyl-1,3-oxazole
CID 138032898
2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole
CID 134084457
2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 22989602

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane?
The IUPAC name of 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane (CID 142062604) is 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane.
What is the SMILES notation for 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane?
The canonical SMILES for 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane is C.c1ccc(CC2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane?
The InChIKey is ZNYZJHIZFOHBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3.CH4/c1-2-6-16(7-3-1)14-17-10-12-23(13-11-17)15-20-21-18-8-4-5-9-19(18)22-20;/h1-9,17H,10-15H2,(H,21,22);1H4.
What are the key properties of 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane?
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane has a molecular weight of 321.47 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane is sourced from PubChem (CID 142062604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).