N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide

C20H19FN6O — CID 166240017

IUPACN-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide
SMILESO=C(NC1CCCC(c2nc3ccccc3[nH]2)C1)c1cc(F)cc2n[nH]nc12
InChIInChI=1S/C20H19FN6O/c21-12-9-14(18-17(10-12)25-27-26-18)20(28)22-13-5-3-4-11(8-13)19-23-15-6-1-2-7-16(15)24-19/h1-2,6-7,9-11,13H,3-5,8H2,(H,22,28)(H,23,24)(H,25,26,27)
InChIKeySBJGQJPZTAINCM-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.43
Rot. Bonds3

About N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide

N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide (PubChem CID 166240017) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide
PubChem CID166240017
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC NameN-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide
SMILESO=C(NC1CCCC(c2nc3ccccc3[nH]2)C1)c1cc(F)cc2n[nH]nc12
InChIInChI=1S/C20H19FN6O/c21-12-9-14(18-17(10-12)25-27-26-18)20(28)22-13-5-3-4-11(8-13)19-23-15-6-1-2-7-16(15)24-19/h1-2,6-7,9-11,13H,3-5,8H2,(H,22,28)(H,23,24)(H,25,26,27)
InChIKeySBJGQJPZTAINCM-UHFFFAOYSA-N
XLogP3.43
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 143700080
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-chloropyridine-3-carboxamide
CID 86638539
1-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(2,4-dichlorophenyl)urea
CID 59175073
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 71095713
N-[(1R,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-7-carboxamide
CID 59175200
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-(ethylamino)-3-(methylamino)benzamide;ethane
CID 143700070
N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 143699929
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 138036144
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-4-methylsulfinylbenzamide;2,2,2-trifluoroacetic acid
CID 68573846
1-[3-(1H-benzimidazol-2-yl)cyclohexyl]-3-(5-phenylthiophen-2-yl)urea
CID 71095705
N-[(3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide
CID 71095749
N-[(1S,3S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-6-methoxy-1-methylindole-2-carboxamide
CID 59175151

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide (CID 166240017) is N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide is O=C(NC1CCCC(c2nc3ccccc3[nH]2)C1)c1cc(F)cc2n[nH]nc12.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide?
The InChIKey is SBJGQJPZTAINCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c21-12-9-14(18-17(10-12)25-27-26-18)20(28)22-13-5-3-4-11(8-13)19-23-15-6-1-2-7-16(15)24-19/h1-2,6-7,9-11,13H,3-5,8H2,(H,22,28)(H,23,24)(H,25,26,27).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide?
N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)cyclohexyl]-6-fluoro-2H-benzotriazole-4-carboxamide is sourced from PubChem (CID 166240017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).