6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline

C28H27N5 — CID 4634591

IUPAC6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline
SMILESCCCCCc1nc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C28H27N5/c1-2-3-4-17-26-29-23-14-8-10-16-25(23)32(26)18-19-33-24-15-9-5-11-20(24)27-28(33)31-22-13-7-6-12-21(22)30-27/h5-16H,2-4,17-19H2,1H3
InChIKeySCPWOZZRUQWCJM-UHFFFAOYSA-N
MW433.56 g/mol
LogP6.52
Rot. Bonds7

About 6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline

6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline (PubChem CID 4634591) has the molecular formula C28H27N5 and a molecular weight of 433.56 g/mol. Its IUPAC name is 6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline
PubChem CID4634591
Molecular FormulaC28H27N5
Molecular Weight433.56 g/mol
Exact Mass433.23
IUPAC Name6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline
SMILESCCCCCc1nc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc21
InChIInChI=1S/C28H27N5/c1-2-3-4-17-26-29-23-14-8-10-16-25(23)32(26)18-19-33-24-15-9-5-11-20(24)27-28(33)31-22-13-7-6-12-21(22)30-27/h5-16H,2-4,17-19H2,1H3
InChIKeySCPWOZZRUQWCJM-UHFFFAOYSA-N
XLogP6.52
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[2-(3-methylbutyl)benzimidazol-1-yl]ethyl]indolo[3,2-b]quinoxaline
CID 4033847
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
1-ethyl-2-pentylbenzimidazole
CID 3463966
N-(2-indolo[3,2-b]quinoxalin-6-ylethyl)-N-methylbutan-1-amine
CID 39070776
3-(2-nonylbenzimidazol-1-yl)propanenitrile
CID 3414189
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
6-(4-bromobutyl)indolo[3,2-b]quinoxaline
CID 39071128
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline?
The IUPAC name of 6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline (CID 4634591) is 6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline?
The canonical SMILES for 6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline is CCCCCc1nc2ccccc2n1CCn1c2ccccc2c2nc3ccccc3nc21.
What is the InChIKey of 6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline?
The InChIKey is SCPWOZZRUQWCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5/c1-2-3-4-17-26-29-23-14-8-10-16-25(23)32(26)18-19-33-24-15-9-5-11-20(24)27-28(33)31-22-13-7-6-12-21(22)30-27/h5-16H,2-4,17-19H2,1H3.
What are the key properties of 6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline?
6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline has a molecular weight of 433.56 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-pentylbenzimidazol-1-yl)ethyl]indolo[3,2-b]quinoxaline is sourced from PubChem (CID 4634591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).