[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

C20H23N5O — CID 126445492

IUPAC[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCC[C@H]1c1nc2ccccc2n1C
InChIInChI=1S/C20H23N5O/c1-3-7-15-14(12-21-13-22-15)20(26)25-11-6-10-18(25)19-23-16-8-4-5-9-17(16)24(19)2/h4-5,8-9,12-13,18H,3,6-7,10-11H2,1-2H3/t18-/m0/s1
InChIKeyQKWYOGLQSNEIOT-SFHVURJKSA-N
MW349.44 g/mol
LogP3.29
Rot. Bonds4

About [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone

[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (PubChem CID 126445492) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
PubChem CID126445492
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone
SMILESCCCc1ncncc1C(=O)N1CCC[C@H]1c1nc2ccccc2n1C
InChIInChI=1S/C20H23N5O/c1-3-7-15-14(12-21-13-22-15)20(26)25-11-6-10-18(25)19-23-16-8-4-5-9-17(16)24(19)2/h4-5,8-9,12-13,18H,3,6-7,10-11H2,1-2H3/t18-/m0/s1
InChIKeyQKWYOGLQSNEIOT-SFHVURJKSA-N
XLogP3.29
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 96579442
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
4-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 75490065
[(1S,2R)-2-ethoxycyclopropyl]-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124808785
(4-cyclopropyl-1,3-oxazol-5-yl)-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 139001864
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
[(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
5-[(2S)-2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124684072
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 126428480
[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 94640308

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The IUPAC name of [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone (CID 126445492) is [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is CCCc1ncncc1C(=O)N1CCC[C@H]1c1nc2ccccc2n1C.
What is the InChIKey of [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
The InChIKey is QKWYOGLQSNEIOT-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-7-15-14(12-21-13-22-15)20(26)25-11-6-10-18(25)19-23-16-8-4-5-9-17(16)24(19)2/h4-5,8-9,12-13,18H,3,6-7,10-11H2,1-2H3/t18-/m0/s1.
What are the key properties of [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone?
[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-(4-propylpyrimidin-5-yl)methanone is sourced from PubChem (CID 126445492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).