1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde

C21H22N2O2 — CID 143523251

IUPAC1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde
SMILESCCCCn1c(Cc2ccc3c(c2)CCO3)nc2cc(C=O)ccc21
InChIInChI=1S/C21H22N2O2/c1-2-3-9-23-19-6-4-16(14-24)12-18(19)22-21(23)13-15-5-7-20-17(11-15)8-10-25-20/h4-7,11-12,14H,2-3,8-10,13H2,1H3
InChIKeyCNHWHQNSQNBKNC-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.17
Rot. Bonds6

About 1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde

1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde (PubChem CID 143523251) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde.

Molecular Properties

Compound Name1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde
PubChem CID143523251
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde
SMILESCCCCn1c(Cc2ccc3c(c2)CCO3)nc2cc(C=O)ccc21
InChIInChI=1S/C21H22N2O2/c1-2-3-9-23-19-6-4-16(14-24)12-18(19)22-21(23)13-15-5-7-20-17(11-15)8-10-25-20/h4-7,11-12,14H,2-3,8-10,13H2,1H3
InChIKeyCNHWHQNSQNBKNC-UHFFFAOYSA-N
XLogP4.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 44561533
CID 44561533
CID 5328534
CID 5328534
CID 119081417
CID 119081417
CID 121237857
CID 121237857
CID 44432966
CID 44432966
CID 23673318
CID 23673318
CID 25957
CID 25957
CID 137319664
CID 137319664
CID 24863434
CID 24863434
CID 44561005
CID 44561005
CID 711821
CID 711821
CID 2965954
CID 2965954

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde?
The IUPAC name of 1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde (CID 143523251) is 1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde.
What is the SMILES notation for 1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde?
The canonical SMILES for 1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde is CCCCn1c(Cc2ccc3c(c2)CCO3)nc2cc(C=O)ccc21.
What is the InChIKey of 1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde?
The InChIKey is CNHWHQNSQNBKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-2-3-9-23-19-6-4-16(14-24)12-18(19)22-21(23)13-15-5-7-20-17(11-15)8-10-25-20/h4-7,11-12,14H,2-3,8-10,13H2,1H3.
What are the key properties of 1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde?
1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde has a molecular weight of 334.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde is sourced from PubChem (CID 143523251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).