1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

C24H27N7O — CID 91947231

IUPAC1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
SMILESCCCn1c(C2CCCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)nc2ccccc21
InChIInChI=1S/C24H27N7O/c1-2-13-30-22-8-4-3-7-21(22)26-24(30)19-6-5-14-29(16-19)23(32)15-18-9-11-20(12-10-18)31-17-25-27-28-31/h3-4,7-12,17,19H,2,5-6,13-16H2,1H3
InChIKeySXJRZFHSCRZBIF-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.37
Rot. Bonds6

About 1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (PubChem CID 91947231) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
PubChem CID91947231
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
SMILESCCCn1c(C2CCCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)nc2ccccc21
InChIInChI=1S/C24H27N7O/c1-2-13-30-22-8-4-3-7-21(22)26-24(30)19-6-5-14-29(16-19)23(32)15-18-9-11-20(12-10-18)31-17-25-27-28-31/h3-4,7-12,17,19H,2,5-6,13-16H2,1H3
InChIKeySXJRZFHSCRZBIF-UHFFFAOYSA-N
XLogP3.37
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 91946745
1-(azepan-1-yl)-2-[2-oxo-2-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]ethoxy]ethanone
CID 91947317
oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947350
N-[1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidin-3-yl]methanesulfonamide
CID 55679023
(1-ethylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947222
(3-tert-butyl-1-methylpyrazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947259
1-(4-propylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 39734467
[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 91947211
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 111561769
(5-cyclopropyl-1-methylpyrazol-3-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947263
(3-methyl-1,2-oxazol-5-yl)-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947250
(3R)-3-amino-1-[(3R)-3-(1-butylbenzimidazol-2-yl)piperidin-1-yl]-4-[4-(4-phenylpiperazin-1-yl)phenyl]butan-1-one
CID 66791557

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (CID 91947231) is 1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is CCCn1c(C2CCCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)nc2ccccc21.
What is the InChIKey of 1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The InChIKey is SXJRZFHSCRZBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-2-13-30-22-8-4-3-7-21(22)26-24(30)19-6-5-14-29(16-19)23(32)15-18-9-11-20(12-10-18)31-17-25-27-28-31/h3-4,7-12,17,19H,2,5-6,13-16H2,1H3.
What are the key properties of 1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone has a molecular weight of 429.53 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 91947231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).