1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

C17H21N7O — CID 91794110

IUPAC1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCc1cccc2[nH]c(C3CCCN3C(=O)CCn3nnnc3C)nc12
InChIInChI=1S/C17H21N7O/c1-11-5-3-6-13-16(11)19-17(18-13)14-7-4-9-23(14)15(25)8-10-24-12(2)20-21-22-24/h3,5-6,14H,4,7-10H2,1-2H3,(H,18,19)
InChIKeyGVBXMRUPTKJMFN-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.92
Rot. Bonds4

About 1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (PubChem CID 91794110) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
PubChem CID91794110
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCc1cccc2[nH]c(C3CCCN3C(=O)CCn3nnnc3C)nc12
InChIInChI=1S/C17H21N7O/c1-11-5-3-6-13-16(11)19-17(18-13)14-7-4-9-23(14)15(25)8-10-24-12(2)20-21-22-24/h3,5-6,14H,4,7-10H2,1-2H3,(H,18,19)
InChIKeyGVBXMRUPTKJMFN-UHFFFAOYSA-N
XLogP1.92
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 125156811
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118763003
5-methyl-2-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 146043049
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 119632771
1-cyclopropyl-4-methyl-3-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 175645173
N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45206901
5-chloro-3-[(2S)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95189791
3-(4-methyl-1H-benzimidazol-2-yl)-1-(2-methylpyrrolidin-1-yl)propan-1-one
CID 166227033
1-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356105
1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 51584706
tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66787018
formic acid;N-[2-(2-methoxyphenyl)ethyl]-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
CID 154903848

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (CID 91794110) is 1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is Cc1cccc2[nH]c(C3CCCN3C(=O)CCn3nnnc3C)nc12.
What is the InChIKey of 1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The InChIKey is GVBXMRUPTKJMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-5-3-6-13-16(11)19-17(18-13)14-7-4-9-23(14)15(25)8-10-24-12(2)20-21-22-24/h3,5-6,14H,4,7-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one has a molecular weight of 339.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is sourced from PubChem (CID 91794110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).