benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen

C24H30N4O3 — CID 143592072

IUPACbenzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen
SMILESO=C(OCc1ccccc1)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1.[H][H]
InChIInChI=1S/C24H28N4O3.H2/c29-23-25-21-8-4-5-9-22(21)28(23)19-10-13-26(14-11-19)20-12-15-27(16-20)24(30)31-17-18-6-2-1-3-7-18;/h1-9,19-20H,10-17H2,(H,25,29);1H
InChIKeyJIQNDKYYBFBJEQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.62
Rot. Bonds4

About benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen

benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen (PubChem CID 143592072) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Namebenzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen
PubChem CID143592072
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Namebenzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen
SMILESO=C(OCc1ccccc1)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1.[H][H]
InChIInChI=1S/C24H28N4O3.H2/c29-23-25-21-8-4-5-9-22(21)28(23)19-10-13-26(14-11-19)20-12-15-27(16-20)24(30)31-17-18-6-2-1-3-7-18;/h1-9,19-20H,10-17H2,(H,25,29);1H
InChIKeyJIQNDKYYBFBJEQ-UHFFFAOYSA-N
XLogP3.62
TPSA70.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
2,2-difluoroethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 172967860
[2-(dibenzylamino)-2-methylpropyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59547652
[2-(dibenzylamino)-2-phenylethyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67177904
[(2S)-2-(dibenzylamino)-2-phenylethyl] 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59547671
ethyl 3-[4-(6-isocyano-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 59403075
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
3-[benzyl-[(3-phenylmethoxyphenyl)methyl]amino]propyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67178096
[(2S)-2-(dibenzylamino)propyl] 3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 25192945
3-[benzyl-[(3-phenoxyphenyl)methyl]amino]propyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate;hydrochloride
CID 67179874
3-[benzyl-[(4-chlorophenyl)methyl]amino]propyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 67177534

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen?
The IUPAC name of benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen (CID 143592072) is benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen.
What is the SMILES notation for benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen?
The canonical SMILES for benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen is O=C(OCc1ccccc1)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1.[H][H].
What is the InChIKey of benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen?
The InChIKey is JIQNDKYYBFBJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3.H2/c29-23-25-21-8-4-5-9-22(21)28(23)19-10-13-26(14-11-19)20-12-15-27(16-20)24(30)31-17-18-6-2-1-3-7-18;/h1-9,19-20H,10-17H2,(H,25,29);1H.
What are the key properties of benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen?
benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen has a molecular weight of 422.53 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 143592072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).