3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

C17H17N5O — CID 124968805

IUPAC3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccnc([C@H]2CCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1
InChIInChI=1S/C17H17N5O/c1-11-4-6-18-16(21-11)13-5-7-22(9-13)17(23)12-2-3-14-15(8-12)20-10-19-14/h2-4,6,8,10,13H,5,7,9H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyJDVVFHIXKZNJQE-ZDUSSCGKSA-N
MW307.36 g/mol
LogP2.29
Rot. Bonds2

About 3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 124968805) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
PubChem CID124968805
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccnc([C@H]2CCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1
InChIInChI=1S/C17H17N5O/c1-11-4-6-18-16(21-11)13-5-7-22(9-13)17(23)12-2-3-14-15(8-12)20-10-19-14/h2-4,6,8,10,13H,5,7,9H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyJDVVFHIXKZNJQE-ZDUSSCGKSA-N
XLogP2.29
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3H-benzimidazol-5-yl-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124950164
3H-benzimidazol-5-yl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 146075721
1,3-benzodioxol-5-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 127246578
3H-benzimidazol-5-yl-[(3S)-3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 95805225
N-[4-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 125021033
N-[4-[3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 127246605
3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 127246151
[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 127246620
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
3H-benzimidazol-5-yl-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 56795021
3-methyl-5-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 124994695
3H-benzimidazol-5-yl-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95290365

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone (CID 124968805) is 3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone is Cc1ccnc([C@H]2CCN(C(=O)c3ccc4nc[nH]c4c3)C2)n1.
What is the InChIKey of 3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is JDVVFHIXKZNJQE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-4-6-18-16(21-11)13-5-7-22(9-13)17(23)12-2-3-14-15(8-12)20-10-19-14/h2-4,6,8,10,13H,5,7,9H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone?
3H-benzimidazol-5-yl-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 307.36 g/mol, XLogP of 2.29, 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-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124968805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).