3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone

C17H19N5O — CID 124950164

IUPAC3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1
InChIInChI=1S/C17H19N5O/c1-11-8-21(2)16(20-11)13-5-6-22(9-13)17(23)12-3-4-14-15(7-12)19-10-18-14/h3-4,7-8,10,13H,5-6,9H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyCZOIRWWJDVULMO-CYBMUJFWSA-N
MW309.37 g/mol
LogP2.23
Rot. Bonds2

About 3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone

3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 124950164) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID124950164
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1
InChIInChI=1S/C17H19N5O/c1-11-8-21(2)16(20-11)13-5-6-22(9-13)17(23)12-3-4-14-15(7-12)19-10-18-14/h3-4,7-8,10,13H,5-6,9H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyCZOIRWWJDVULMO-CYBMUJFWSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110104793
2H-benzotriazol-5-yl-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124973256
3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 124968805
3H-benzimidazol-5-yl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 146075721
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124964571
3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 127246151
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 125015112
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605111
3H-benzimidazol-5-yl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87053044
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone (CID 124950164) is 3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone is Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1.
What is the InChIKey of 3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is CZOIRWWJDVULMO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-8-21(2)16(20-11)13-5-6-22(9-13)17(23)12-3-4-14-15(7-12)19-10-18-14/h3-4,7-8,10,13H,5-6,9H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone?
3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 309.37 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124950164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).