N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine

C15H21FN4 — CID 103295344

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine
SMILESCC1CCCCC1(CN)Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H21FN4/c1-10-4-2-3-7-15(10,9-17)20-14-18-12-6-5-11(16)8-13(12)19-14/h5-6,8,10H,2-4,7,9,17H2,1H3,(H2,18,19,20)
InChIKeyQOFWCFFULOCNAB-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.02
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine

N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine (PubChem CID 103295344) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine
PubChem CID103295344
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine
SMILESCC1CCCCC1(CN)Nc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H21FN4/c1-10-4-2-3-7-15(10,9-17)20-14-18-12-6-5-11(16)8-13(12)19-14/h5-6,8,10H,2-4,7,9,17H2,1H3,(H2,18,19,20)
InChIKeyQOFWCFFULOCNAB-UHFFFAOYSA-N
XLogP3.02
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine (CID 103295344) is N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine is CC1CCCCC1(CN)Nc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine?
The InChIKey is QOFWCFFULOCNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-10-4-2-3-7-15(10,9-17)20-14-18-12-6-5-11(16)8-13(12)19-14/h5-6,8,10H,2-4,7,9,17H2,1H3,(H2,18,19,20).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine?
N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine has a molecular weight of 276.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-6-fluoro-1H-benzimidazol-2-amine is sourced from PubChem (CID 103295344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).