N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide

C24H29FN4O — CID 59530587

IUPACN-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCCN(CC)c1cc2nc(-c3ccc(F)cc3)[nH]c2cc1NC(=O)C1CCCCC1
InChIInChI=1S/C24H29FN4O/c1-3-29(4-2)22-15-20-19(26-23(27-20)16-10-12-18(25)13-11-16)14-21(22)28-24(30)17-8-6-5-7-9-17/h10-15,17H,3-9H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyLAYQARGRCYOTIG-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.73
Rot. Bonds6

About N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide

N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide (PubChem CID 59530587) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide
PubChem CID59530587
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC NameN-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide
SMILESCCN(CC)c1cc2nc(-c3ccc(F)cc3)[nH]c2cc1NC(=O)C1CCCCC1
InChIInChI=1S/C24H29FN4O/c1-3-29(4-2)22-15-20-19(26-23(27-20)16-10-12-18(25)13-11-16)14-21(22)28-24(30)17-8-6-5-7-9-17/h10-15,17H,3-9H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyLAYQARGRCYOTIG-UHFFFAOYSA-N
XLogP5.73
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide (CID 59530587) is N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide is CCN(CC)c1cc2nc(-c3ccc(F)cc3)[nH]c2cc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide?
The InChIKey is LAYQARGRCYOTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-3-29(4-2)22-15-20-19(26-23(27-20)16-10-12-18(25)13-11-16)14-21(22)28-24(30)17-8-6-5-7-9-17/h10-15,17H,3-9H2,1-2H3,(H,26,27)(H,28,30).
What are the key properties of N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide?
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide is sourced from PubChem (CID 59530587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).