5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine

C16H22FN3 — CID 63546950

IUPAC5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine
SMILESCCCC1CCC(n2c(N)nc3cc(F)ccc32)CC1
InChIInChI=1S/C16H22FN3/c1-2-3-11-4-7-13(8-5-11)20-15-9-6-12(17)10-14(15)19-16(20)18/h6,9-11,13H,2-5,7-8H2,1H3,(H2,18,19)
InChIKeyPPBLUUMOCSIGBS-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.29
Rot. Bonds3

About 5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine

5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine (PubChem CID 63546950) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine
PubChem CID63546950
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine
SMILESCCCC1CCC(n2c(N)nc3cc(F)ccc32)CC1
InChIInChI=1S/C16H22FN3/c1-2-3-11-4-7-13(8-5-11)20-15-9-6-12(17)10-14(15)19-16(20)18/h6,9-11,13H,2-5,7-8H2,1H3,(H2,18,19)
InChIKeyPPBLUUMOCSIGBS-UHFFFAOYSA-N
XLogP4.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-(oxetan-3-yl)benzimidazol-2-amine
CID 170911669
5-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridin-2-amine
CID 81136422
1-(2-cyclopentylethyl)-5-fluorobenzimidazol-2-amine
CID 54932894
7-chloro-1-(4-propylcyclohexyl)benzimidazol-2-amine
CID 63546773
6-bromo-1-(4-ethylcyclohexyl)benzimidazol-2-amine
CID 65347463
1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine
CID 43661615
2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79799089
5-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)benzene-1,3-diamine
CID 107811484
1-cyclopropyl-2-(diethoxymethyl)-5-fluorobenzimidazole
CID 63770973
5-fluoro-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82729284
4-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]aniline
CID 60785645
5-fluoro-1-(2-methylsulfanylcyclopentyl)benzimidazol-2-amine
CID 114121961

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine (CID 63546950) is 5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine is CCCC1CCC(n2c(N)nc3cc(F)ccc32)CC1.
What is the InChIKey of 5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine?
The InChIKey is PPBLUUMOCSIGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-2-3-11-4-7-13(8-5-11)20-15-9-6-12(17)10-14(15)19-16(20)18/h6,9-11,13H,2-5,7-8H2,1H3,(H2,18,19).
What are the key properties of 5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine?
5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine has a molecular weight of 275.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-propylcyclohexyl)benzimidazol-2-amine is sourced from PubChem (CID 63546950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).