1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol

C20H20N4O3 — CID 135730689

IUPAC1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol
SMILESCOCCCn1c(Cn2c(O)c(N=O)c3ccccc32)nc2ccccc21
InChIInChI=1S/C20H20N4O3/c1-27-12-6-11-23-17-10-5-3-8-15(17)21-18(23)13-24-16-9-4-2-7-14(16)19(22-26)20(24)25/h2-5,7-10,25H,6,11-13H2,1H3
InChIKeyAGGZFNINFOYMEK-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.18
Rot. Bonds7

About 1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol

1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol (PubChem CID 135730689) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol.

Molecular Properties

Compound Name1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol
PubChem CID135730689
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol
SMILESCOCCCn1c(Cn2c(O)c(N=O)c3ccccc32)nc2ccccc21
InChIInChI=1S/C20H20N4O3/c1-27-12-6-11-23-17-10-5-3-8-15(17)21-18(23)13-24-16-9-4-2-7-14(16)19(22-26)20(24)25/h2-5,7-10,25H,6,11-13H2,1H3
InChIKeyAGGZFNINFOYMEK-UHFFFAOYSA-N
XLogP4.18
TPSA81.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-3-nitrosopyrrolo[2,3-c]pyridin-2-ol
CID 135965933
1-[3-(4-methylphenoxy)propyl]-3-nitrosoindol-2-ol
CID 135575003
1-[(4-methoxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 2142444
2-ethyl-1-[2-(3-methoxypropoxy)ethyl]benzimidazole
CID 103184188
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
1-butyl-3-[[3-[(1-butyl-2-hydroxyindol-3-yl)diazenyl]quinoxalin-2-yl]diazenyl]indol-2-ol
CID 135687000
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-nitrosoindol-2-ol
CID 135574983
3-[1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 2947583
1-dodecyl-2-(methoxymethyl)benzimidazole
CID 16996870
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
2-(azepan-1-ylmethyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 18885338

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol?
The IUPAC name of 1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol (CID 135730689) is 1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol.
What is the SMILES notation for 1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol?
The canonical SMILES for 1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol is COCCCn1c(Cn2c(O)c(N=O)c3ccccc32)nc2ccccc21.
What is the InChIKey of 1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol?
The InChIKey is AGGZFNINFOYMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-12-6-11-23-17-10-5-3-8-15(17)21-18(23)13-24-16-9-4-2-7-14(16)19(22-26)20(24)25/h2-5,7-10,25H,6,11-13H2,1H3.
What are the key properties of 1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol?
1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol has a molecular weight of 364.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methoxypropyl)benzimidazol-2-yl]methyl]-3-nitrosoindol-2-ol is sourced from PubChem (CID 135730689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).