N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine

C15H11FN4 — CID 156865262

IUPACN-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine
SMILESFc1ccc2[nH]cc(Nc3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C15H11FN4/c16-9-5-6-11-10(7-9)14(8-17-11)20-15-18-12-3-1-2-4-13(12)19-15/h1-8,17H,(H2,18,19,20)
InChIKeyRQJCOKCRKSDYGC-UHFFFAOYSA-N
MW266.28 g/mol
LogP3.93
Rot. Bonds2

About N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine

N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine (PubChem CID 156865262) has the molecular formula C15H11FN4 and a molecular weight of 266.28 g/mol. Its IUPAC name is N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine
PubChem CID156865262
Molecular FormulaC15H11FN4
Molecular Weight266.28 g/mol
Exact Mass266.10
IUPAC NameN-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine
SMILESFc1ccc2[nH]cc(Nc3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C15H11FN4/c16-9-5-6-11-10(7-9)14(8-17-11)20-15-18-12-3-1-2-4-13(12)19-15/h1-8,17H,(H2,18,19,20)
InChIKeyRQJCOKCRKSDYGC-UHFFFAOYSA-N
XLogP3.93
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437
N-(5-bromo-1H-indol-3-yl)-6-phenoxy-1H-benzimidazol-2-amine
CID 156865205
N-(4-bromo-1H-indol-3-yl)-1H-benzimidazol-2-amine
CID 156865264
N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 15602783
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
N-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-6-phenoxy-1H-benzimidazol-2-amine
CID 156865217
N-(2-methylphenyl)-1H-benzimidazol-2-amine
CID 923872
N-(2-methylphenyl)-1H-benzimidazol-2-amine;hydrochloride
CID 22288832
N-(3-fluoro-2,4,6-trimethylphenyl)-1H-benzimidazol-2-amine
CID 90942138
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
(5-fluoro-1H-indol-3-yl)urea
CID 167168212
N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 133410613

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine (CID 156865262) is N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine is Fc1ccc2[nH]cc(Nc3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine?
The InChIKey is RQJCOKCRKSDYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4/c16-9-5-6-11-10(7-9)14(8-17-11)20-15-18-12-3-1-2-4-13(12)19-15/h1-8,17H,(H2,18,19,20).
What are the key properties of N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine?
N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine has a molecular weight of 266.28 g/mol, XLogP of 3.93, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 156865262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).