N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine

C20H22N4O — CID 11232913

IUPACN-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine
SMILESc1ccc2c(CCCNCCOc3cccc4[nH]cnc34)c[nH]c2c1
InChIInChI=1S/C20H22N4O/c1-2-7-17-16(6-1)15(13-22-17)5-4-10-21-11-12-25-19-9-3-8-18-20(19)24-14-23-18/h1-3,6-9,13-14,21-22H,4-5,10-12H2,(H,23,24)
InChIKeyKDBNOLRCLHHEBP-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.65
Rot. Bonds8

About N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine

N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine (PubChem CID 11232913) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine
PubChem CID11232913
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine
SMILESc1ccc2c(CCCNCCOc3cccc4[nH]cnc34)c[nH]c2c1
InChIInChI=1S/C20H22N4O/c1-2-7-17-16(6-1)15(13-22-17)5-4-10-21-11-12-25-19-9-3-8-18-20(19)24-14-23-18/h1-3,6-9,13-14,21-22H,4-5,10-12H2,(H,23,24)
InChIKeyKDBNOLRCLHHEBP-UHFFFAOYSA-N
XLogP3.65
TPSA65.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Aminobenzimidazole, 12
CID 17755723
[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-benzyl-amine
CID 9881815
1-[7-(benzyloxy)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-3-ethylurea
CID 21366049
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-benzylpyridin-2-amine
CID 23646994
[2-(1H-Benzoimidazol-4-yloxy)-ethyl]-[3-(5-fluoro-1H-indol-3-yl)-propyl]-amine
CID 9798593
3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-pyrrolo[2,3-b]pyridine
CID 9820163
Benzyl-[2-(2-trifluoromethyl-1H-benzoimidazol-4-yloxy)-ethyl]-amine
CID 9840672
5-{2-[4-(3H-Benzimidazol-4-ylmethyl)piperazin-1-yl]ethoxy}-2-methylquinoline
CID 10150796
[2-(6-Chloro-1H-benzoimidazol-4-yloxy)-ethyl]-[3-(5-fluoro-1H-indol-3-yl)-propyl]-amine
CID 11246169
1-Benzyl-7-methoxy-2-piperazin-1-ylbenzimidazole
CID 11723654
N-(3-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064750
4-propan-2-yloxy-5H-pyrimido[5,4-b]indole
CID 3994853

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine?
The IUPAC name of N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine (CID 11232913) is N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine?
The canonical SMILES for N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine is c1ccc2c(CCCNCCOc3cccc4[nH]cnc34)c[nH]c2c1.
What is the InChIKey of N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine?
The InChIKey is KDBNOLRCLHHEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-7-17-16(6-1)15(13-22-17)5-4-10-21-11-12-25-19-9-3-8-18-20(19)24-14-23-18/h1-3,6-9,13-14,21-22H,4-5,10-12H2,(H,23,24).
What are the key properties of N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine?
N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine has a molecular weight of 334.42 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 11232913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).