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

C25H29N7O — CID 51360376

IUPAC3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2ccccc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C25H29N7O/c33-25-26-21-12-6-7-13-22(21)31(25)19-14-16-30(17-15-19)23(18-8-2-1-3-9-18)24-27-28-29-32(24)20-10-4-5-11-20/h1-3,6-9,12-13,19-20,23H,4-5,10-11,14-17H2,(H,26,33)
InChIKeyIXRNLACFQBHJCT-UHFFFAOYSA-N
MW443.56 g/mol
LogP3.86
Rot. Bonds5

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

3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360376) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360376
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(C(c2ccccc2)c2nnnn2C2CCCC2)CC1
InChIInChI=1S/C25H29N7O/c33-25-26-21-12-6-7-13-22(21)31(25)19-14-16-30(17-15-19)23(18-8-2-1-3-9-18)24-27-28-29-32(24)20-10-4-5-11-20/h1-3,6-9,12-13,19-20,23H,4-5,10-11,14-17H2,(H,26,33)
InChIKeyIXRNLACFQBHJCT-UHFFFAOYSA-N
XLogP3.86
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 53.86
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)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360376) is 3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(C(c2ccccc2)c2nnnn2C2CCCC2)CC1.
What is the InChIKey of 3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is IXRNLACFQBHJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c33-25-26-21-12-6-7-13-22(21)31(25)19-14-16-30(17-15-19)23(18-8-2-1-3-9-18)24-27-28-29-32(24)20-10-4-5-11-20/h1-3,6-9,12-13,19-20,23H,4-5,10-11,14-17H2,(H,26,33).
What are the key properties of 3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 443.56 g/mol, XLogP of 3.86, 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)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).