3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one

C23H31N7O — CID 51360358

IUPAC3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2nnnn2C2CCCCC2)C2CC2)CC1
InChIInChI=1S/C23H31N7O/c31-23-24-19-8-4-5-9-20(19)29(23)17-12-14-28(15-13-17)21(16-10-11-16)22-25-26-27-30(22)18-6-2-1-3-7-18/h4-5,8-9,16-18,21H,1-3,6-7,10-15H2,(H,24,31)
InChIKeyMIOMQAUWMCSWLG-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.61
Rot. Bonds5

About 3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360358) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360358
Molecular FormulaC23H31N7O
Molecular Weight421.55 g/mol
Exact Mass421.26
IUPAC Name3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2nnnn2C2CCCCC2)C2CC2)CC1
InChIInChI=1S/C23H31N7O/c31-23-24-19-8-4-5-9-20(19)29(23)17-12-14-28(15-13-17)21(16-10-11-16)22-25-26-27-30(22)18-6-2-1-3-7-18/h4-5,8-9,16-18,21H,1-3,6-7,10-15H2,(H,24,31)
InChIKeyMIOMQAUWMCSWLG-UHFFFAOYSA-N
XLogP3.61
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360358) is 3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C(c2nnnn2C2CCCCC2)C2CC2)CC1.
What is the InChIKey of 3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is MIOMQAUWMCSWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O/c31-23-24-19-8-4-5-9-20(19)29(23)17-12-14-28(15-13-17)21(16-10-11-16)22-25-26-27-30(22)18-6-2-1-3-7-18/h4-5,8-9,16-18,21H,1-3,6-7,10-15H2,(H,24,31).
What are the key properties of 3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 421.55 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-cyclohexyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).