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

C21H29N7O — CID 51360381

IUPAC3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCCn1nnnc1C(C1CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C21H29N7O/c1-2-3-12-27-20(23-24-25-27)19(15-8-9-15)26-13-10-16(11-14-26)28-18-7-5-4-6-17(18)22-21(28)29/h4-7,15-16,19H,2-3,8-14H2,1H3,(H,22,29)
InChIKeyMDDRGCTYGONAGB-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.90
Rot. Bonds7

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

3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 51360381) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID51360381
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCCCn1nnnc1C(C1CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C21H29N7O/c1-2-3-12-27-20(23-24-25-27)19(15-8-9-15)26-13-10-16(11-14-26)28-18-7-5-4-6-17(18)22-21(28)29/h4-7,15-16,19H,2-3,8-14H2,1H3,(H,22,29)
InChIKeyMDDRGCTYGONAGB-UHFFFAOYSA-N
XLogP2.90
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 51360381) is 3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCCCn1nnnc1C(C1CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is MDDRGCTYGONAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-2-3-12-27-20(23-24-25-27)19(15-8-9-15)26-13-10-16(11-14-26)28-18-7-5-4-6-17(18)22-21(28)29/h4-7,15-16,19H,2-3,8-14H2,1H3,(H,22,29).
What are the key properties of 3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 395.51 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 51360381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).