4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine

C22H26N4 — CID 4275710

IUPAC4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine
SMILESCCc1cccc2c(CCCCN)c(-c3nc4ccccc4n3C)[nH]c12
InChIInChI=1S/C22H26N4/c1-3-15-9-8-11-16-17(10-6-7-14-23)21(25-20(15)16)22-24-18-12-4-5-13-19(18)26(22)2/h4-5,8-9,11-13,25H,3,6-7,10,14,23H2,1-2H3
InChIKeyGIUDEUBAVYDYTR-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.57
Rot. Bonds6

About 4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine

4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine (PubChem CID 4275710) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine
PubChem CID4275710
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine
SMILESCCc1cccc2c(CCCCN)c(-c3nc4ccccc4n3C)[nH]c12
InChIInChI=1S/C22H26N4/c1-3-15-9-8-11-16-17(10-6-7-14-23)21(25-20(15)16)22-24-18-12-4-5-13-19(18)26(22)2/h4-5,8-9,11-13,25H,3,6-7,10,14,23H2,1-2H3
InChIKeyGIUDEUBAVYDYTR-UHFFFAOYSA-N
XLogP4.57
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[7-ethyl-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5034856
4-[2-(2,4-dichlorophenyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4012865
4-[5-(1-adamantyl)-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine
CID 3681691
4-[2-(3-chloro-4-pyridinyl)-7-ethyl-1H-indol-3-yl]butan-1-amine
CID 4211375
4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3541792
4-[2-(1-benzothiophen-2-yl)-7-butyl-1H-indol-3-yl]butan-1-amine
CID 4026811
4-[2-(1,3-benzothiazol-2-yl)-1H-benzo[g]indol-3-yl]butan-1-amine
CID 5029093
4-[7-bromo-2-(4-ethylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5138431
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
4-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]butan-1-amine
CID 4546289
2-fluoranthen-3-yl-1-methylbenzimidazole
CID 121287547
4-[7-fluoro-2-(6-methoxy-2-pyridinyl)-1H-indol-3-yl]butan-1-amine
CID 4008862

Frequently Asked Questions

What is the IUPAC name of 4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine (CID 4275710) is 4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine is CCc1cccc2c(CCCCN)c(-c3nc4ccccc4n3C)[nH]c12.
What is the InChIKey of 4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is GIUDEUBAVYDYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-3-15-9-8-11-16-17(10-6-7-14-23)21(25-20(15)16)22-24-18-12-4-5-13-19(18)26(22)2/h4-5,8-9,11-13,25H,3,6-7,10,14,23H2,1-2H3.
What are the key properties of 4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine?
4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 346.48 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-ethyl-2-(1-methylbenzimidazol-2-yl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 4275710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).