6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole

C11H13N3 — CID 96670413

IUPAC6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
SMILESc1nc2ccc([C@@H]3CCCN3)cc2[nH]1
InChIInChI=1S/C11H13N3/c1-2-9(12-5-1)8-3-4-10-11(6-8)14-7-13-10/h3-4,6-7,9,12H,1-2,5H2,(H,13,14)/t9-/m0/s1
InChIKeyKVUPMNCAEALHPH-VIFPVBQESA-N
MW187.25 g/mol
LogP1.99
Rot. Bonds1

About 6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole

6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 96670413) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID96670413
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
SMILESc1nc2ccc([C@@H]3CCCN3)cc2[nH]1
InChIInChI=1S/C11H13N3/c1-2-9(12-5-1)8-3-4-10-11(6-8)14-7-13-10/h3-4,6-7,9,12H,1-2,5H2,(H,13,14)/t9-/m0/s1
InChIKeyKVUPMNCAEALHPH-VIFPVBQESA-N
XLogP1.99
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-piperidin-2-ylquinoxaline
CID 171487792
4-(3H-benzimidazol-5-yl)piperidine-2-carboxylic acid
CID 82385122
3-(3H-benzimidazol-5-yl)-6-bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 116837310
2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid
CID 116979486
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one
CID 82385685
5-[(2R)-pyrrolidin-2-yl]-2-(trifluoromethyl)pyridine
CID 97289984
6-[(2R)-azepan-2-yl]quinoline
CID 40638182
5-pyrrolidin-2-yl-1H-indazole
CID 82602484
2-methyl-4-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487324
3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116980277
6-[2-(pyrrolidin-2-ylmethyl)-1H-imidazol-5-yl]-1H-benzimidazole
CID 116877618

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole (CID 96670413) is 6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole is c1nc2ccc([C@@H]3CCCN3)cc2[nH]1.
What is the InChIKey of 6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is KVUPMNCAEALHPH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3/c1-2-9(12-5-1)8-3-4-10-11(6-8)14-7-13-10/h3-4,6-7,9,12H,1-2,5H2,(H,13,14)/t9-/m0/s1.
What are the key properties of 6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 187.25 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 96670413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).