N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide

C17H20N4O — CID 167852560

IUPACN-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(NC1CCN(c2nc3ccccc3[nH]2)CC1)C12CC1C2
InChIInChI=1S/C17H20N4O/c22-15(17-9-11(17)10-17)18-12-5-7-21(8-6-12)16-19-13-3-1-2-4-14(13)20-16/h1-4,11-12H,5-10H2,(H,18,22)(H,19,20)
InChIKeyZPANMWUNBYVFQJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.06
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide

N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 167852560) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide
PubChem CID167852560
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(NC1CCN(c2nc3ccccc3[nH]2)CC1)C12CC1C2
InChIInChI=1S/C17H20N4O/c22-15(17-9-11(17)10-17)18-12-5-7-21(8-6-12)16-19-13-3-1-2-4-14(13)20-16/h1-4,11-12H,5-10H2,(H,18,22)(H,19,20)
InChIKeyZPANMWUNBYVFQJ-UHFFFAOYSA-N
XLogP2.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]carbamoyl]-3-methylbutanoic acid
CID 146145486
N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 167791506
1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 20882807
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
tert-butyl N-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632096
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-1H-benzimidazole
CID 75435540
1-(1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 4130439
2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 155941941
[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 20882839
[1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate
CID 54562997
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
CID 18425264

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide (CID 167852560) is N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide is O=C(NC1CCN(c2nc3ccccc3[nH]2)CC1)C12CC1C2.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is ZPANMWUNBYVFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-15(17-9-11(17)10-17)18-12-5-7-21(8-6-12)16-19-13-3-1-2-4-14(13)20-16/h1-4,11-12H,5-10H2,(H,18,22)(H,19,20).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide?
N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 167852560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).