N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine

C20H20ClFN4O — CID 11246169

IUPACN-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine
SMILESFc1ccc2[nH]cc(CCCNCCOc3cc(Cl)cc4[nH]cnc34)c2c1
InChIInChI=1S/C20H20ClFN4O/c21-14-8-18-20(26-12-25-18)19(9-14)27-7-6-23-5-1-2-13-11-24-17-4-3-15(22)10-16(13)17/h3-4,8-12,23-24H,1-2,5-7H2,(H,25,26)
InChIKeyWHXNJTORMHZUJH-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.44
Rot. Bonds8

About N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine

N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine (PubChem CID 11246169) has the molecular formula C20H20ClFN4O and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine
PubChem CID11246169
Molecular FormulaC20H20ClFN4O
Molecular Weight386.86 g/mol
Exact Mass386.13
IUPAC NameN-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine
SMILESFc1ccc2[nH]cc(CCCNCCOc3cc(Cl)cc4[nH]cnc34)c2c1
InChIInChI=1S/C20H20ClFN4O/c21-14-8-18-20(26-12-25-18)19(9-14)27-7-6-23-5-1-2-13-11-24-17-4-3-15(22)10-16(13)17/h3-4,8-12,23-24H,1-2,5-7H2,(H,25,26)
InChIKeyWHXNJTORMHZUJH-UHFFFAOYSA-N
XLogP4.44
TPSA65.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.44
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The IUPAC name of N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine (CID 11246169) is N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine is Fc1ccc2[nH]cc(CCCNCCOc3cc(Cl)cc4[nH]cnc34)c2c1.
What is the InChIKey of N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine?
The InChIKey is WHXNJTORMHZUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O/c21-14-8-18-20(26-12-25-18)19(9-14)27-7-6-23-5-1-2-13-11-24-17-4-3-15(22)10-16(13)17/h3-4,8-12,23-24H,1-2,5-7H2,(H,25,26).
What are the key properties of N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine?
N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine has a molecular weight of 386.86 g/mol, XLogP of 4.44, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloro-1H-benzimidazol-4-yl)oxy]ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 11246169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).