(2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one

C16H19N7O — CID 125433704

IUPAC(2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCC[C@H]1c1nc2ccccc2n1C)n1cnnn1
InChIInChI=1S/C16H19N7O/c1-11(23-10-17-19-20-23)16(24)22-9-5-8-14(22)15-18-12-6-3-4-7-13(12)21(15)2/h3-4,6-7,10-11,14H,5,8-9H2,1-2H3/t11-,14-/m0/s1
InChIKeyBGULSXIRPKNCSY-FZMZJTMJSA-N
MW325.38 g/mol
LogP1.48
Rot. Bonds3

About (2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one

(2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one (PubChem CID 125433704) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one
PubChem CID125433704
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name(2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one
SMILESC[C@@H](C(=O)N1CCC[C@H]1c1nc2ccccc2n1C)n1cnnn1
InChIInChI=1S/C16H19N7O/c1-11(23-10-17-19-20-23)16(24)22-9-5-8-14(22)15-18-12-6-3-4-7-13(12)21(15)2/h3-4,6-7,10-11,14H,5,8-9H2,1-2H3/t11-,14-/m0/s1
InChIKeyBGULSXIRPKNCSY-FZMZJTMJSA-N
XLogP1.48
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
1-[2-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 128962564
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 126428480
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571162
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571163
(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 51966220
[(1S,2R)-2-ethoxycyclopropyl]-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124808785
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone
CID 52536369
furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91822619
3-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 56821041
(2S,3S)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one
CID 127255341
[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
CID 126445492

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one?
The IUPAC name of (2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one (CID 125433704) is (2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one is C[C@@H](C(=O)N1CCC[C@H]1c1nc2ccccc2n1C)n1cnnn1.
What is the InChIKey of (2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one?
The InChIKey is BGULSXIRPKNCSY-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H19N7O/c1-11(23-10-17-19-20-23)16(24)22-9-5-8-14(22)15-18-12-6-3-4-7-13(12)21(15)2/h3-4,6-7,10-11,14H,5,8-9H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one?
(2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one has a molecular weight of 325.38 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 125433704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).