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

C22H29N7O — CID 51360369

IUPAC3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2nnnn2C2CCCC2)C2CC2)CC1
InChIInChI=1S/C22H29N7O/c30-22-23-18-7-3-4-8-19(18)28(22)16-11-13-27(14-12-16)20(15-9-10-15)21-24-25-26-29(21)17-5-1-2-6-17/h3-4,7-8,15-17,20H,1-2,5-6,9-14H2,(H,23,30)
InChIKeyZCJNRXWXBGDUJB-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.22
Rot. Bonds5

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

3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360369) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is 3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360369
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2nnnn2C2CCCC2)C2CC2)CC1
InChIInChI=1S/C22H29N7O/c30-22-23-18-7-3-4-8-19(18)28(22)16-11-13-27(14-12-16)20(15-9-10-15)21-24-25-26-29(21)17-5-1-2-6-17/h3-4,7-8,15-17,20H,1-2,5-6,9-14H2,(H,23,30)
InChIKeyZCJNRXWXBGDUJB-UHFFFAOYSA-N
XLogP3.22
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360369) is 3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C(c2nnnn2C2CCCC2)C2CC2)CC1.
What is the InChIKey of 3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is ZCJNRXWXBGDUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c30-22-23-18-7-3-4-8-19(18)28(22)16-11-13-27(14-12-16)20(15-9-10-15)21-24-25-26-29(21)17-5-1-2-6-17/h3-4,7-8,15-17,20H,1-2,5-6,9-14H2,(H,23,30).
What are the key properties of 3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 407.52 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-cyclopentyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).