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

2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
CID 143523233
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
3-[5-chloro-2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308852
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butan-1-amine
CID 69325436
2-[(3,4-dimethoxyphenyl)methyl]-1-octadecylbenzimidazole
CID 18878488
2-[(3,4-dimethoxyphenyl)methyl]-1-octylbenzimidazole
CID 18878494
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde
CID 102670873
3-butyl-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidin-4-one
CID 3718539
N-[(1-butyl-5-methoxybenzimidazol-2-yl)methyl]-N-methylbutan-1-amine
CID 134084130
2,3-dihydro-1-benzofuran-5-carbaldehyde;1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-2-amine;methane;5-(2-methylprop-1-enyl)-2,3-dihydro-1-benzofuran;triphenyl(propan-2-yl)phosphanium
CID 157340277
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095

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).