[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone

C17H19N5O — CID 124614174

IUPAC[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCc1ccc2nc([C@H]3CCCN3C(=O)c3cn(C)cn3)[nH]c2c1
InChIInChI=1S/C17H19N5O/c1-11-5-6-12-13(8-11)20-16(19-12)15-4-3-7-22(15)17(23)14-9-21(2)10-18-14/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeySQIHMLXEXNHXHE-OAHLLOKOSA-N
MW309.37 g/mol
LogP2.58
Rot. Bonds2

About [(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone

[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 124614174) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is [(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID124614174
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCc1ccc2nc([C@H]3CCCN3C(=O)c3cn(C)cn3)[nH]c2c1
InChIInChI=1S/C17H19N5O/c1-11-5-6-12-13(8-11)20-16(19-12)15-4-3-7-22(15)17(23)14-9-21(2)10-18-14/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeySQIHMLXEXNHXHE-OAHLLOKOSA-N
XLogP2.58
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 118761658
[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 70732393
isoquinolin-1-yl-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 60612000
[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70710523
2-cyclopropyl-5-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56885278
5-acetyl-6-methyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 56881866
4-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 94876669
[2-(1H-imidazol-2-yl)phenyl]-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 95897284
cis-(1S,3R)-2,2-dimethyl-3-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122065924
2-[4-(hydroxymethyl)phenyl]-1-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95871688
3-ethoxy-1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 70753192
(1-ethylpyrazol-4-yl)-[2-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 110219199

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone (CID 124614174) is [(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone is Cc1ccc2nc([C@H]3CCCN3C(=O)c3cn(C)cn3)[nH]c2c1.
What is the InChIKey of [(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is SQIHMLXEXNHXHE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-5-6-12-13(8-11)20-16(19-12)15-4-3-7-22(15)17(23)14-9-21(2)10-18-14/h5-6,8-10,15H,3-4,7H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of [(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone?
[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 309.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 124614174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).