1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C18H23N7O — CID 128962564

IUPAC1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCC(C)n1c(C2CCCN2C(=O)CCn2cnnn2)nc2ccccc21
InChIInChI=1S/C18H23N7O/c1-13(2)25-15-7-4-3-6-14(15)20-18(25)16-8-5-10-24(16)17(26)9-11-23-12-19-21-22-23/h3-4,6-7,12-13,16H,5,8-11H2,1-2H3
InChIKeyHQYDMWDQVRQGMS-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.36
Rot. Bonds5

About 1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 128962564) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID128962564
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCC(C)n1c(C2CCCN2C(=O)CCn2cnnn2)nc2ccccc21
InChIInChI=1S/C18H23N7O/c1-13(2)25-15-7-4-3-6-14(15)20-18(25)16-8-5-10-24(16)17(26)9-11-23-12-19-21-22-23/h3-4,6-7,12-13,16H,5,8-11H2,1-2H3
InChIKeyHQYDMWDQVRQGMS-UHFFFAOYSA-N
XLogP2.36
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-6-methyl-1-[4-oxo-4-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]butyl]pyridin-2-one
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(2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one
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1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
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3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 128962564) is 1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is CC(C)n1c(C2CCCN2C(=O)CCn2cnnn2)nc2ccccc21.
What is the InChIKey of 1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is HQYDMWDQVRQGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-13(2)25-15-7-4-3-6-14(15)20-18(25)16-8-5-10-24(16)17(26)9-11-23-12-19-21-22-23/h3-4,6-7,12-13,16H,5,8-11H2,1-2H3.
What are the key properties of 1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one has a molecular weight of 353.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 128962564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).