3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one

C19H21N5O — CID 125018164

IUPAC3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cncc([C@H]2CCCN2C(=O)CCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C19H21N5O/c1-13-11-20-12-16(21-13)17-7-4-10-24(17)19(25)9-8-18-22-14-5-2-3-6-15(14)23-18/h2-3,5-6,11-12,17H,4,7-10H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyXMRBKTDMRDJDFD-QGZVFWFLSA-N
MW335.41 g/mol
LogP2.96
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one

3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 125018164) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID125018164
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cncc([C@H]2CCCN2C(=O)CCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C19H21N5O/c1-13-11-20-12-16(21-13)17-7-4-10-24(17)19(25)9-8-18-22-14-5-2-3-6-15(14)23-18/h2-3,5-6,11-12,17H,4,7-10H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyXMRBKTDMRDJDFD-QGZVFWFLSA-N
XLogP2.96
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99956598
3-(1H-benzimidazol-2-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
CID 99956601
3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137208112
3-(1H-benzimidazol-2-yl)-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]propan-1-one
CID 25356275
2-[1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidin-2-yl]-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110076054
1-[2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110096335
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124997340
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
4-(1H-benzimidazol-2-yl)-1-[2-(3-bromophenyl)pyrrolidin-1-yl]butan-1-one
CID 75404741
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 125017351
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
CID 40512693
1-[3-(1H-benzimidazol-2-yl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 167883500

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one (CID 125018164) is 3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one is Cc1cncc([C@H]2CCCN2C(=O)CCc2nc3ccccc3[nH]2)n1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is XMRBKTDMRDJDFD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-11-20-12-16(21-13)17-7-4-10-24(17)19(25)9-8-18-22-14-5-2-3-6-15(14)23-18/h2-3,5-6,11-12,17H,4,7-10H2,1H3,(H,22,23)/t17-/m1/s1.
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one?
3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 335.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 125018164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).