2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole

C17H23N7 — CID 56785941

IUPAC2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCCCn1nnnc1CN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H23N7/c1-2-9-24-16(20-21-22-24)12-23-10-7-13(8-11-23)17-18-14-5-3-4-6-15(14)19-17/h3-6,13H,2,7-12H2,1H3,(H,18,19)
InChIKeyCHRGSRWROHAZOH-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.34
Rot. Bonds5

About 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole

2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 56785941) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID56785941
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
SMILESCCCn1nnnc1CN1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H23N7/c1-2-9-24-16(20-21-22-24)12-23-10-7-13(8-11-23)17-18-14-5-3-4-6-15(14)19-17/h3-6,13H,2,7-12H2,1H3,(H,18,19)
InChIKeyCHRGSRWROHAZOH-UHFFFAOYSA-N
XLogP2.34
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
6-chloro-2-[1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 45076391
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-[1-[(3-ethyl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 74246859
6-chloro-2-[1-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 43815881
4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 86831886
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 70752239
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole (CID 56785941) is 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole is CCCn1nnnc1CN1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is CHRGSRWROHAZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-2-9-24-16(20-21-22-24)12-23-10-7-13(8-11-23)17-18-14-5-3-4-6-15(14)19-17/h3-6,13H,2,7-12H2,1H3,(H,18,19).
What are the key properties of 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole?
2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 325.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 56785941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).