1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone

C19H26N4O — CID 70746403

IUPAC1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCc1cccc2[nH]c(C3CCN(C(=O)CN4CCCC4)CC3)nc12
InChIInChI=1S/C19H26N4O/c1-14-5-4-6-16-18(14)21-19(20-16)15-7-11-23(12-8-15)17(24)13-22-9-2-3-10-22/h4-6,15H,2-3,7-13H2,1H3,(H,20,21)
InChIKeyJXTWHUXWPNSTGL-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.67
Rot. Bonds3

About 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone

1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 70746403) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID70746403
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCc1cccc2[nH]c(C3CCN(C(=O)CN4CCCC4)CC3)nc12
InChIInChI=1S/C19H26N4O/c1-14-5-4-6-16-18(14)21-19(20-16)15-7-11-23(12-8-15)17(24)13-22-9-2-3-10-22/h4-6,15H,2-3,7-13H2,1H3,(H,20,21)
InChIKeyJXTWHUXWPNSTGL-UHFFFAOYSA-N
XLogP2.67
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 72907509
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70711639
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 56753993
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 72907250
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70768059
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 70730737
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 70746246
2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 56875048
2-hydroxy-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 72931914
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 70734781
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
CID 50985043
3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 72856082

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 70746403) is 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone is Cc1cccc2[nH]c(C3CCN(C(=O)CN4CCCC4)CC3)nc12.
What is the InChIKey of 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is JXTWHUXWPNSTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-5-4-6-16-18(14)21-19(20-16)15-7-11-23(12-8-15)17(24)13-22-9-2-3-10-22/h4-6,15H,2-3,7-13H2,1H3,(H,20,21).
What are the key properties of 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone?
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 326.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 70746403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).