2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C17H19N3O2 — CID 4882612

IUPAC2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)Cn2c(CO)nc3ccccc32)c(C)n1C
InChIInChI=1S/C17H19N3O2/c1-11-8-13(12(2)19(11)3)16(22)9-20-15-7-5-4-6-14(15)18-17(20)10-21/h4-8,21H,9-10H2,1-3H3
InChIKeyMPBVQQZKUYGALU-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.37
Rot. Bonds4

About 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 4882612) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID4882612
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)Cn2c(CO)nc3ccccc32)c(C)n1C
InChIInChI=1S/C17H19N3O2/c1-11-8-13(12(2)19(11)3)16(22)9-20-15-7-5-4-6-14(15)18-17(20)10-21/h4-8,21H,9-10H2,1-3H3
InChIKeyMPBVQQZKUYGALU-UHFFFAOYSA-N
XLogP2.37
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 4882612) is 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)Cn2c(CO)nc3ccccc32)c(C)n1C.
What is the InChIKey of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is MPBVQQZKUYGALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-8-13(12(2)19(11)3)16(22)9-20-15-7-5-4-6-14(15)18-17(20)10-21/h4-8,21H,9-10H2,1-3H3.
What are the key properties of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 297.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 4882612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).