2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone

C14H16ClN3O2 — CID 82332690

IUPAC2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1c(CO)nc2cc(Cl)ccc21)N1CCCC1
InChIInChI=1S/C14H16ClN3O2/c15-10-3-4-12-11(7-10)16-13(9-19)18(12)8-14(20)17-5-1-2-6-17/h3-4,7,19H,1-2,5-6,8-9H2
InChIKeyOEHMKGAIQHLDOM-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.80
Rot. Bonds3

About 2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone

2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 82332690) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID82332690
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(Cn1c(CO)nc2cc(Cl)ccc21)N1CCCC1
InChIInChI=1S/C14H16ClN3O2/c15-10-3-4-12-11(7-10)16-13(9-19)18(12)8-14(20)17-5-1-2-6-17/h3-4,7,19H,1-2,5-6,8-9H2
InChIKeyOEHMKGAIQHLDOM-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
N-[3-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-chlorobenzamide
CID 16983601
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-chlorobenzamide
CID 17007549
3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311826
2-(5-chloro-1-prop-2-ynylbenzimidazol-2-yl)acetic acid
CID 82332489
methyl 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]acetate
CID 43659664
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 82359117
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 104838625
2-(2-chlorophenyl)-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16979371
1-(azepan-1-yl)-2-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]ethanone
CID 16999317
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
CID 28819102

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone (CID 82332690) is 2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone is O=C(Cn1c(CO)nc2cc(Cl)ccc21)N1CCCC1.
What is the InChIKey of 2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is OEHMKGAIQHLDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-10-3-4-12-11(7-10)16-13(9-19)18(12)8-14(20)17-5-1-2-6-17/h3-4,7,19H,1-2,5-6,8-9H2.
What are the key properties of 2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 293.75 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(hydroxymethyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 82332690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).