[1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone

C22H26N6O — CID 72933791

IUPAC[1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1nc3ccccc3[nH]1)CC2
InChIInChI=1S/C22H26N6O/c29-21(15-5-6-15)28-10-7-18-20(24-14-23-18)22(28)8-11-27(12-9-22)13-19-25-16-3-1-2-4-17(16)26-19/h1-4,14-15H,5-13H2,(H,23,24)(H,25,26)
InChIKeyLONNERCEPAOKMF-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.57
Rot. Bonds3

About [1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone

[1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone (PubChem CID 72933791) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is [1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
PubChem CID72933791
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name[1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1nc3ccccc3[nH]1)CC2
InChIInChI=1S/C22H26N6O/c29-21(15-5-6-15)28-10-7-18-20(24-14-23-18)22(28)8-11-27(12-9-22)13-19-25-16-3-1-2-4-17(16)26-19/h1-4,14-15H,5-13H2,(H,23,24)(H,25,26)
InChIKeyLONNERCEPAOKMF-UHFFFAOYSA-N
XLogP2.57
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?
The IUPAC name of [1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone (CID 72933791) is [1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone.
What is the SMILES notation for [1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?
The canonical SMILES for [1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(Cc1nc3ccccc3[nH]1)CC2.
What is the InChIKey of [1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?
The InChIKey is LONNERCEPAOKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c29-21(15-5-6-15)28-10-7-18-20(24-14-23-18)22(28)8-11-27(12-9-22)13-19-25-16-3-1-2-4-17(16)26-19/h1-4,14-15H,5-13H2,(H,23,24)(H,25,26).
What are the key properties of [1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone?
[1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone has a molecular weight of 390.49 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1'-(1H-benzimidazol-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-cyclopropylmethanone is sourced from PubChem (CID 72933791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).