5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine

C16H15FN4 — CID 107811484

IUPAC5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2nc3cc(F)ccc3n2C2CC2)c1
InChIInChI=1S/C16H15FN4/c17-10-1-4-15-14(7-10)20-16(21(15)13-2-3-13)9-5-11(18)8-12(19)6-9/h1,4-8,13H,2-3,18-19H2
InChIKeyHOEODJDPHJDLTB-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.34
Rot. Bonds2

About 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine

5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine (PubChem CID 107811484) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
PubChem CID107811484
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
SMILESNc1cc(N)cc(-c2nc3cc(F)ccc3n2C2CC2)c1
InChIInChI=1S/C16H15FN4/c17-10-1-4-15-14(7-10)20-16(21(15)13-2-3-13)9-5-11(18)8-12(19)6-9/h1,4-8,13H,2-3,18-19H2
InChIKeyHOEODJDPHJDLTB-UHFFFAOYSA-N
XLogP3.34
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)aniline
CID 107812783
[4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-pyridinyl]methanamine
CID 114324618
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785646
3-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 54595254
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
4-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-3-methyl-1,2-thiazol-5-amine
CID 79397633
4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60785041
3-(5-bromo-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783333
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline
CID 60785645
3-(5-chloro-1-cyclopropylbenzimidazol-2-yl)aniline
CID 60783299
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
5-(5-bromo-1-cyclopropylbenzimidazol-2-yl)-2-fluoroaniline
CID 60836884

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine?
The IUPAC name of 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine (CID 107811484) is 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine?
The canonical SMILES for 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine is Nc1cc(N)cc(-c2nc3cc(F)ccc3n2C2CC2)c1.
What is the InChIKey of 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine?
The InChIKey is HOEODJDPHJDLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-10-1-4-15-14(7-10)20-16(21(15)13-2-3-13)9-5-11(18)8-12(19)6-9/h1,4-8,13H,2-3,18-19H2.
What are the key properties of 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine?
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine has a molecular weight of 282.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 107811484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).