2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride

C20H20ClN3O2 — CID 175102310

IUPAC2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride
SMILESCCn1c(-c2nc3cc(C=O)cc(OC)c3n2C)cc2ccccc21.Cl
InChIInChI=1S/C20H19N3O2.ClH/c1-4-23-16-8-6-5-7-14(16)11-17(23)20-21-15-9-13(12-24)10-18(25-3)19(15)22(20)2;/h5-12H,4H2,1-3H3;1H
InChIKeyZGTPJHXAKASGGR-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.46
Rot. Bonds4

About 2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride

2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride (PubChem CID 175102310) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride
PubChem CID175102310
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride
SMILESCCn1c(-c2nc3cc(C=O)cc(OC)c3n2C)cc2ccccc21.Cl
InChIInChI=1S/C20H19N3O2.ClH/c1-4-23-16-8-6-5-7-14(16)11-17(23)20-21-15-9-13(12-24)10-18(25-3)19(15)22(20)2;/h5-12H,4H2,1-3H3;1H
InChIKeyZGTPJHXAKASGGR-UHFFFAOYSA-N
XLogP4.46
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethylindol-2-yl)-1-methyl-7-(trifluoromethoxy)benzimidazole
CID 154002152
2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carboxylic acid
CID 86340186
2-[1-(cyclopropylmethyl)-6-[(6-fluoro-3-pyridinyl)oxy]indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carbaldehyde
CID 175115257
2-[1-(cyclopropylmethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carbaldehyde
CID 150110904
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(2-hydroxyethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 122703159
[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 122702856
1-ethyl-2-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-c]pyridine
CID 141448929
[1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703171
[(3R,4S)-4-hydroxy-1-[7-methoxy-1-methyl-2-[1-(2,2,2-trifluoroethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703069
[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703116
2-(1-ethylindol-2-yl)-3,7-dimethylbenzimidazole-5-carboxylic acid
CID 122702871
[(3R)-1-[2-(1-ethylpyrrolo[3,2-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 155433399

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride?
The IUPAC name of 2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride (CID 175102310) is 2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride.
What is the SMILES notation for 2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride?
The canonical SMILES for 2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride is CCn1c(-c2nc3cc(C=O)cc(OC)c3n2C)cc2ccccc21.Cl.
What is the InChIKey of 2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride?
The InChIKey is ZGTPJHXAKASGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2.ClH/c1-4-23-16-8-6-5-7-14(16)11-17(23)20-21-15-9-13(12-24)10-18(25-3)19(15)22(20)2;/h5-12H,4H2,1-3H3;1H.
What are the key properties of 2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride?
2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindol-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbaldehyde;hydrochloride is sourced from PubChem (CID 175102310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).