[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone

C17H16Cl2N4O — CID 55629262

IUPAC[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone
SMILESCn1c(C(=O)N2CCCC2c2nc3ccccc3[nH]2)cc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N4O/c1-22-14(9-10(18)15(22)19)17(24)23-8-4-7-13(23)16-20-11-5-2-3-6-12(11)21-16/h2-3,5-6,9,13H,4,7-8H2,1H3,(H,20,21)
InChIKeyLPCUNCTXGBMDFX-UHFFFAOYSA-N
MW363.25 g/mol
LogP4.19
Rot. Bonds2

About [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone

[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone (PubChem CID 55629262) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone
PubChem CID55629262
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone
SMILESCn1c(C(=O)N2CCCC2c2nc3ccccc3[nH]2)cc(Cl)c1Cl
InChIInChI=1S/C17H16Cl2N4O/c1-22-14(9-10(18)15(22)19)17(24)23-8-4-7-13(23)16-20-11-5-2-3-6-12(11)21-16/h2-3,5-6,9,13H,4,7-8H2,1H3,(H,20,21)
InChIKeyLPCUNCTXGBMDFX-UHFFFAOYSA-N
XLogP4.19
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
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1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 134061764
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
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[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
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[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
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Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone?
The IUPAC name of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone (CID 55629262) is [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone is Cn1c(C(=O)N2CCCC2c2nc3ccccc3[nH]2)cc(Cl)c1Cl.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone?
The InChIKey is LPCUNCTXGBMDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c1-22-14(9-10(18)15(22)19)17(24)23-8-4-7-13(23)16-20-11-5-2-3-6-12(11)21-16/h2-3,5-6,9,13H,4,7-8H2,1H3,(H,20,21).
What are the key properties of [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone?
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone has a molecular weight of 363.25 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4,5-dichloro-1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 55629262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).