1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone

C25H25N5O3 — CID 58190759

IUPAC1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1nc2c(C(=O)Cc3ncc[nH]3)cccc2[nH]1)c1ccc(OCC2CCCC2)cn1
InChIInChI=1S/C25H25N5O3/c31-21(12-23-26-10-11-27-23)18-6-3-7-20-25(18)30-24(29-20)13-22(32)19-9-8-17(14-28-19)33-15-16-4-1-2-5-16/h3,6-11,14,16H,1-2,4-5,12-13,15H2,(H,26,27)(H,29,30)
InChIKeyWQRTUPMMAVZYCP-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.10
Rot. Bonds9

About 1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone

1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone (PubChem CID 58190759) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone
PubChem CID58190759
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone
SMILESO=C(Cc1nc2c(C(=O)Cc3ncc[nH]3)cccc2[nH]1)c1ccc(OCC2CCCC2)cn1
InChIInChI=1S/C25H25N5O3/c31-21(12-23-26-10-11-27-23)18-6-3-7-20-25(18)30-24(29-20)13-22(32)19-9-8-17(14-28-19)33-15-16-4-1-2-5-16/h3,6-11,14,16H,1-2,4-5,12-13,15H2,(H,26,27)(H,29,30)
InChIKeyWQRTUPMMAVZYCP-UHFFFAOYSA-N
XLogP4.10
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone
CID 58190998
5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
CID 79794070
3-[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]-1-[2-(2-isoquinolin-3-yl-2-oxoethyl)-1H-benzimidazol-4-yl]propan-1-one
CID 58190777
tert-butyl (3S)-3-[3-[2-(2-isoquinolin-3-yl-2-oxoethyl)-1H-benzimidazol-4-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 58191033
1-isoquinolin-3-yl-2-[4-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetyl]-1H-benzimidazol-2-yl]ethanone
CID 58191050
tert-butyl (2R)-2-[[3-[3-[2-(2-isoquinolin-3-yl-2-oxoethyl)-1H-benzimidazol-4-yl]-3-oxopropyl]piperidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 58190957
2-(1H-indazol-5-yl)-1-[2-(2-isoquinolin-3-yl-2-oxoethyl)-1H-benzimidazol-4-yl]ethanone
CID 58190761
5-(cycloheptylmethoxy)pyridine-2-carbothioamide
CID 114248397
2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride
CID 50988132
1-[4-(cyclohexylmethoxy)phenyl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 139807213
[5-(cyclohexylmethoxy)-1H-indol-2-yl]-(1H-indol-2-yl)methanone
CID 5330542
2-(hydroxymethyl)-1H-benzimidazole-4-carboxylic acid
CID 19759729

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone?
The IUPAC name of 1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone (CID 58190759) is 1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone?
The canonical SMILES for 1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone is O=C(Cc1nc2c(C(=O)Cc3ncc[nH]3)cccc2[nH]1)c1ccc(OCC2CCCC2)cn1.
What is the InChIKey of 1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone?
The InChIKey is WQRTUPMMAVZYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c31-21(12-23-26-10-11-27-23)18-6-3-7-20-25(18)30-24(29-20)13-22(32)19-9-8-17(14-28-19)33-15-16-4-1-2-5-16/h3,6-11,14,16H,1-2,4-5,12-13,15H2,(H,26,27)(H,29,30).
What are the key properties of 1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone?
1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone has a molecular weight of 443.51 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[5-(cyclopentylmethoxy)-2-pyridinyl]-2-oxoethyl]-1H-benzimidazol-4-yl]-2-(1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 58190759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).