[1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate

C18H26N4O2 — CID 54562997

IUPAC[1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate
SMILESCN(C(=O)OC1CCN(c2nc3ccccc3[nH]2)CC1)C(C)(C)C
InChIInChI=1S/C18H26N4O2/c1-18(2,3)21(4)17(23)24-13-9-11-22(12-10-13)16-19-14-7-5-6-8-15(14)20-16/h5-8,13H,9-12H2,1-4H3,(H,19,20)
InChIKeyZRVNZIQPBFATQN-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.40
Rot. Bonds2

About [1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate

[1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate (PubChem CID 54562997) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate.

Molecular Properties

Compound Name[1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate
PubChem CID54562997
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate
SMILESCN(C(=O)OC1CCN(c2nc3ccccc3[nH]2)CC1)C(C)(C)C
InChIInChI=1S/C18H26N4O2/c1-18(2,3)21(4)17(23)24-13-9-11-22(12-10-13)16-19-14-7-5-6-8-15(14)20-16/h5-8,13H,9-12H2,1-4H3,(H,19,20)
InChIKeyZRVNZIQPBFATQN-UHFFFAOYSA-N
XLogP3.40
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
CID 18425264
2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 155941941
2-[4-(methoxymethyl)piperidin-1-yl]-1H-benzimidazole
CID 133410263
[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 20882839
2-[[1-(1H-benzimidazol-2-yl)piperidin-4-yl]carbamoyl]-3-methylbutanoic acid
CID 146145486
tert-butyl N-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632096
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112627764
2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole
CID 133410848
1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 20882807
N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]bicyclo[1.1.0]butane-1-carboxamide
CID 167852560

Frequently Asked Questions

What is the IUPAC name of [1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate?
The IUPAC name of [1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate (CID 54562997) is [1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate.
What is the SMILES notation for [1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate?
The canonical SMILES for [1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate is CN(C(=O)OC1CCN(c2nc3ccccc3[nH]2)CC1)C(C)(C)C.
What is the InChIKey of [1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate?
The InChIKey is ZRVNZIQPBFATQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(2,3)21(4)17(23)24-13-9-11-22(12-10-13)16-19-14-7-5-6-8-15(14)20-16/h5-8,13H,9-12H2,1-4H3,(H,19,20).
What are the key properties of [1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate?
[1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate has a molecular weight of 330.43 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate is sourced from PubChem (CID 54562997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).