N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine

C13H16FN3 — CID 103295166

IUPACN-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
SMILESFc1ccc2nc(NCCCC3CC3)[nH]c2c1
InChIInChI=1S/C13H16FN3/c14-10-5-6-11-12(8-10)17-13(16-11)15-7-1-2-9-3-4-9/h5-6,8-9H,1-4,7H2,(H2,15,16,17)
InChIKeyXEDQYGDPWYTTOO-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.30
Rot. Bonds5

About N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine

N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine (PubChem CID 103295166) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
PubChem CID103295166
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
SMILESFc1ccc2nc(NCCCC3CC3)[nH]c2c1
InChIInChI=1S/C13H16FN3/c14-10-5-6-11-12(8-10)17-13(16-11)15-7-1-2-9-3-4-9/h5-6,8-9H,1-4,7H2,(H2,15,16,17)
InChIKeyXEDQYGDPWYTTOO-UHFFFAOYSA-N
XLogP3.30
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
N-(3-cyclopentylpropyl)-6-nitro-1H-benzimidazol-2-amine
CID 106012835
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propane-1-sulfonamide
CID 103294870
N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
CID 103295026
N-(2-butoxyethyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103294786
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 103295044
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294732
1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine
CID 103295199
6-fluoro-N-(2-prop-2-enylsulfanylethyl)-1H-benzimidazol-2-amine
CID 106430091

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine (CID 103295166) is N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine is Fc1ccc2nc(NCCCC3CC3)[nH]c2c1.
What is the InChIKey of N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine?
The InChIKey is XEDQYGDPWYTTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c14-10-5-6-11-12(8-10)17-13(16-11)15-7-1-2-9-3-4-9/h5-6,8-9H,1-4,7H2,(H2,15,16,17).
What are the key properties of N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine?
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine has a molecular weight of 233.29 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 103295166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).