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

C25H25FN4O2 — CID 59530569

IUPACN-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide
SMILESCCN(CC)c1cc2nc(-c3ccc(F)cc3)[nH]c2cc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C25H25FN4O2/c1-4-30(5-2)23-15-21-20(27-24(28-21)16-6-10-18(26)11-7-16)14-22(23)29-25(31)17-8-12-19(32-3)13-9-17/h6-15H,4-5H2,1-3H3,(H,27,28)(H,29,31)
InChIKeyNRPOXUNAKWXMCV-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.48
Rot. Bonds7

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

N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide (PubChem CID 59530569) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide
PubChem CID59530569
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC NameN-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide
SMILESCCN(CC)c1cc2nc(-c3ccc(F)cc3)[nH]c2cc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C25H25FN4O2/c1-4-30(5-2)23-15-21-20(27-24(28-21)16-6-10-18(26)11-7-16)14-22(23)29-25(31)17-8-12-19(32-3)13-9-17/h6-15H,4-5H2,1-3H3,(H,27,28)(H,29,31)
InChIKeyNRPOXUNAKWXMCV-UHFFFAOYSA-N
XLogP5.48
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[6-(diethylamino)-2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 59530548
4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide
CID 68511451
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide
CID 59530587
4-(dipropylamino)-N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 139827123
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
4-tert-butyl-N-[6-(diethylamino)-2-naphthalen-1-yl-3H-benzimidazol-5-yl]benzamide
CID 59530546
4-methoxy-N-[4-[6-(pentanoylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20694879
N-[6-(diethylamino)-2-(2-methoxyphenyl)-3H-benzimidazol-5-yl]-2,2,2-trifluoroacetamide
CID 59530585
ethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate;dihydrate
CID 134694491
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]-4-(1H-pyrrol-2-yl)benzamide
CID 71009349

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide?
The IUPAC name of N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide (CID 59530569) is N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide?
The canonical SMILES for N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide is CCN(CC)c1cc2nc(-c3ccc(F)cc3)[nH]c2cc1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide?
The InChIKey is NRPOXUNAKWXMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-4-30(5-2)23-15-21-20(27-24(28-21)16-6-10-18(26)11-7-16)14-22(23)29-25(31)17-8-12-19(32-3)13-9-17/h6-15H,4-5H2,1-3H3,(H,27,28)(H,29,31).
What are the key properties of N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide?
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide has a molecular weight of 432.50 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide is sourced from PubChem (CID 59530569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).