cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine

C12H14FN3 — CID 62697258

IUPACcyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine
SMILESCn1c(C(N)C2CC2)nc2c(F)cccc21
InChIInChI=1S/C12H14FN3/c1-16-9-4-2-3-8(13)11(9)15-12(16)10(14)7-5-6-7/h2-4,7,10H,5-6,14H2,1H3
InChIKeyGZAHWQNRZABXOH-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.12
Rot. Bonds2

About cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine

cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine (PubChem CID 62697258) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine
PubChem CID62697258
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Namecyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine
SMILESCn1c(C(N)C2CC2)nc2c(F)cccc21
InChIInChI=1S/C12H14FN3/c1-16-9-4-2-3-8(13)11(9)15-12(16)10(14)7-5-6-7/h2-4,7,10H,5-6,14H2,1H3
InChIKeyGZAHWQNRZABXOH-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 54902054
1-(4-fluoro-1-methylbenzimidazol-2-yl)-3-methylbutan-1-amine
CID 60783668
(6-chloro-1-methylbenzimidazol-2-yl)-cyclopropylmethanamine
CID 115472454
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
1-(4-fluoro-1-methylbenzimidazol-2-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 54920207
ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate
CID 79474721
4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine
CID 104683343
2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole
CID 60790255
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050
2-(1-chloroethyl)-1-(3-cyclopentylpropyl)-4-fluorobenzimidazole
CID 106005319
2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole
CID 54920356
1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol
CID 79873477

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine?
The IUPAC name of cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine (CID 62697258) is cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine.
What is the SMILES notation for cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine?
The canonical SMILES for cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine is Cn1c(C(N)C2CC2)nc2c(F)cccc21.
What is the InChIKey of cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine?
The InChIKey is GZAHWQNRZABXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-16-9-4-2-3-8(13)11(9)15-12(16)10(14)7-5-6-7/h2-4,7,10H,5-6,14H2,1H3.
What are the key properties of cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine?
cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine has a molecular weight of 219.26 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-fluoro-1-methylbenzimidazol-2-yl)methanamine is sourced from PubChem (CID 62697258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).