6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide

C26H26FN5O3 — CID 42164827

IUPAC6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide
SMILESCOCCn1c(-c2ccccn2)nc2cc(NC(C)=O)cc(C(=O)NCCc3ccccc3F)c21
InChIInChI=1S/C26H26FN5O3/c1-17(33)30-19-15-20(26(34)29-12-10-18-7-3-4-8-21(18)27)24-23(16-19)31-25(32(24)13-14-35-2)22-9-5-6-11-28-22/h3-9,11,15-16H,10,12-14H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyFNVPVHBAPMLPFZ-UHFFFAOYSA-N
MW475.52 g/mol
LogP3.81
Rot. Bonds9

About 6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide

6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide (PubChem CID 42164827) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is 6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide
PubChem CID42164827
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide
SMILESCOCCn1c(-c2ccccn2)nc2cc(NC(C)=O)cc(C(=O)NCCc3ccccc3F)c21
InChIInChI=1S/C26H26FN5O3/c1-17(33)30-19-15-20(26(34)29-12-10-18-7-3-4-8-21(18)27)24-23(16-19)31-25(32(24)13-14-35-2)22-9-5-6-11-28-22/h3-9,11,15-16H,10,12-14H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyFNVPVHBAPMLPFZ-UHFFFAOYSA-N
XLogP3.81
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-acetamido-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxylic acid
CID 118760384
N-[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazol-5-yl]acetamide
CID 42163323
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]benzimidazole-4-carboxamide
CID 28738928
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzimidazole-4-carboxamide
CID 45165909
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide
CID 42483858
3-benzyl-N-(3-methoxypropyl)-2-methyl-6-(2-methylpropanoylamino)benzimidazole-4-carboxamide
CID 42379624
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]benzimidazole-4-carboxamide
CID 42375992
7-[(2-fluorophenyl)methoxy]-1-(2-methoxyethyl)-N,N,2-trimethylbenzimidazole-5-carboxamide
CID 71191424
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966463
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 110852457
7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide
CID 50842476

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide?
The IUPAC name of 6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide (CID 42164827) is 6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for 6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide?
The canonical SMILES for 6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide is COCCn1c(-c2ccccn2)nc2cc(NC(C)=O)cc(C(=O)NCCc3ccccc3F)c21.
What is the InChIKey of 6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide?
The InChIKey is FNVPVHBAPMLPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-17(33)30-19-15-20(26(34)29-12-10-18-7-3-4-8-21(18)27)24-23(16-19)31-25(32(24)13-14-35-2)22-9-5-6-11-28-22/h3-9,11,15-16H,10,12-14H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of 6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide?
6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 42164827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).