1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

C17H21N7O — CID 51584706

IUPAC1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCc1cc2nc([C@H]3CCCN3C(=O)CCn3cnnn3)[nH]c2cc1C
InChIInChI=1S/C17H21N7O/c1-11-8-13-14(9-12(11)2)20-17(19-13)15-4-3-6-24(15)16(25)5-7-23-10-18-21-22-23/h8-10,15H,3-7H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyBRFVCVRYWKSKMG-OAHLLOKOSA-N
MW339.40 g/mol
LogP1.92
Rot. Bonds4

About 1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one

1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (PubChem CID 51584706) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
PubChem CID51584706
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
SMILESCc1cc2nc([C@H]3CCCN3C(=O)CCn3cnnn3)[nH]c2cc1C
InChIInChI=1S/C17H21N7O/c1-11-8-13-14(9-12(11)2)20-17(19-13)15-4-3-6-24(15)16(25)5-7-23-10-18-21-22-23/h8-10,15H,3-7H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyBRFVCVRYWKSKMG-OAHLLOKOSA-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-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 110225725
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 92576442
1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone
CID 126470110
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 46969857
3-ethoxy-1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 70753192
1-[(2S)-2-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 92617216
1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 128962564
1-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110270247
[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 92554910
[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92554912
1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 91794110
(3aR,7aR)-2-[3-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124787208

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one (CID 51584706) is 1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is Cc1cc2nc([C@H]3CCCN3C(=O)CCn3cnnn3)[nH]c2cc1C.
What is the InChIKey of 1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
The InChIKey is BRFVCVRYWKSKMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-8-13-14(9-12(11)2)20-17(19-13)15-4-3-6-24(15)16(25)5-7-23-10-18-21-22-23/h8-10,15H,3-7H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one?
1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-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-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 51584706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).