N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine

C20H20FN5 — CID 167828623

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine
SMILESCC(C)c1ccc2ncnc(NCCc3nc4ccc(F)cc4[nH]3)c2c1
InChIInChI=1S/C20H20FN5/c1-12(2)13-3-5-16-15(9-13)20(24-11-23-16)22-8-7-19-25-17-6-4-14(21)10-18(17)26-19/h3-6,9-12H,7-8H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyOUQUEVCJXHIFEH-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.42
Rot. Bonds5

About N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine (PubChem CID 167828623) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine
PubChem CID167828623
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine
SMILESCC(C)c1ccc2ncnc(NCCc3nc4ccc(F)cc4[nH]3)c2c1
InChIInChI=1S/C20H20FN5/c1-12(2)13-3-5-16-15(9-13)20(24-11-23-16)22-8-7-19-25-17-6-4-14(21)10-18(17)26-19/h3-6,9-12H,7-8H2,1-2H3,(H,25,26)(H,22,23,24)
InChIKeyOUQUEVCJXHIFEH-UHFFFAOYSA-N
XLogP4.42
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine
CID 39801917
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278287
N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82331830
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine
CID 67619024
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
CID 120504301
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120504300
(2S)-2-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-methylpentanamide
CID 119898385
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133349441
6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine
CID 133305631

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine (CID 167828623) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine is CC(C)c1ccc2ncnc(NCCc3nc4ccc(F)cc4[nH]3)c2c1.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine?
The InChIKey is OUQUEVCJXHIFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c1-12(2)13-3-5-16-15(9-13)20(24-11-23-16)22-8-7-19-25-17-6-4-14(21)10-18(17)26-19/h3-6,9-12H,7-8H2,1-2H3,(H,25,26)(H,22,23,24).
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine has a molecular weight of 349.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 167828623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).