N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide

C17H19FN6O — CID 166310601

IUPACN-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide
SMILESO=C(NCc1c(F)ccc2[nH]cnc12)C1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C17H19FN6O/c18-13-5-6-14-15(21-8-20-14)12(13)7-19-17(25)11-3-1-10(2-4-11)16-22-9-23-24-16/h5-6,8-11H,1-4,7H2,(H,19,25)(H,20,21)(H,22,23,24)
InChIKeyIULNHCJPZYONCW-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.41
Rot. Bonds4

About N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide

N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 166310601) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide
PubChem CID166310601
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC NameN-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide
SMILESO=C(NCc1c(F)ccc2[nH]cnc12)C1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C17H19FN6O/c18-13-5-6-14-15(21-8-20-14)12(13)7-19-17(25)11-3-1-10(2-4-11)16-22-9-23-24-16/h5-6,8-11H,1-4,7H2,(H,19,25)(H,20,21)(H,22,23,24)
InChIKeyIULNHCJPZYONCW-UHFFFAOYSA-N
XLogP2.41
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide (CID 166310601) is N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide is O=C(NCc1c(F)ccc2[nH]cnc12)C1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is IULNHCJPZYONCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c18-13-5-6-14-15(21-8-20-14)12(13)7-19-17(25)11-3-1-10(2-4-11)16-22-9-23-24-16/h5-6,8-11H,1-4,7H2,(H,19,25)(H,20,21)(H,22,23,24).
What are the key properties of N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide?
N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-benzimidazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 166310601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).