N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide

C16H18N6O — CID 75520966

IUPACN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ncn(C2CCCCC2)n1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H18N6O/c23-15(11-6-7-13-14(8-11)18-9-17-13)20-16-19-10-22(21-16)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,17,18)(H,20,21,23)
InChIKeyDZMVBMLFXXEYTF-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.91
Rot. Bonds3

About N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide

N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 75520966) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID75520966
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ncn(C2CCCCC2)n1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H18N6O/c23-15(11-6-7-13-14(8-11)18-9-17-13)20-16-19-10-22(21-16)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,17,18)(H,20,21,23)
InChIKeyDZMVBMLFXXEYTF-UHFFFAOYSA-N
XLogP2.91
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-piperidin-1-yl-3H-benzimidazole-5-carboxamide
CID 69436503
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-5-fluoropyridine-3-carboxamide
CID 75503671
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(3H-benzimidazol-5-yl)methanone
CID 60960326
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-[2-(hydroxymethyl)cyclopentyl]-3H-benzimidazole-5-carboxamide
CID 103856996
N-(1-azabicyclo[3.2.1]octan-3-yl)-3H-benzimidazole-5-carboxamide
CID 10308194
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-3H-benzimidazole-5-carboxamide
CID 118865652

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide (CID 75520966) is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ncn(C2CCCCC2)n1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is DZMVBMLFXXEYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c23-15(11-6-7-13-14(8-11)18-9-17-13)20-16-19-10-22(21-16)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,17,18)(H,20,21,23).
What are the key properties of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide?
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 75520966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).