1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide

C15H19FN4O — CID 119885393

IUPAC1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CCCCC1
InChIInChI=1S/C15H19FN4O/c16-10-4-5-11-12(8-10)20-13(19-11)9-18-14(21)15(17)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,17H2,(H,18,21)(H,19,20)
InChIKeyAADCMVMPZGFVRL-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.98
Rot. Bonds3

About 1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide

1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 119885393) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID119885393
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CCCCC1
InChIInChI=1S/C15H19FN4O/c16-10-4-5-11-12(8-10)20-13(19-11)9-18-14(21)15(17)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,17H2,(H,18,21)(H,19,20)
InChIKeyAADCMVMPZGFVRL-UHFFFAOYSA-N
XLogP1.98
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide (CID 119885393) is 1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide is NC1(C(=O)NCc2nc3ccc(F)cc3[nH]2)CCCCC1.
What is the InChIKey of 1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is AADCMVMPZGFVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c16-10-4-5-11-12(8-10)20-13(19-11)9-18-14(21)15(17)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9,17H2,(H,18,21)(H,19,20).
What are the key properties of 1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119885393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).