6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide

C26H26FN5O3 — CID 42483858

IUPAC6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide
SMILESCCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)NC[C@H](C)Oc3cccnc3)c21
InChIInChI=1S/C26H26FN5O3/c1-4-32-24-21(26(34)29-14-16(2)35-19-8-7-11-28-15-19)12-18(30-17(3)33)13-23(24)31-25(32)20-9-5-6-10-22(20)27/h5-13,15-16H,4,14H2,1-3H3,(H,29,34)(H,30,33)/t16-/m0/s1
InChIKeyYADSABIWNNYZPX-INIZCTEOSA-N
MW475.52 g/mol
LogP4.41
Rot. Bonds8

About 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide

6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide (PubChem CID 42483858) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide
PubChem CID42483858
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide
SMILESCCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)NC[C@H](C)Oc3cccnc3)c21
InChIInChI=1S/C26H26FN5O3/c1-4-32-24-21(26(34)29-14-16(2)35-19-8-7-11-28-15-19)12-18(30-17(3)33)13-23(24)31-25(32)20-9-5-6-10-22(20)27/h5-13,15-16H,4,14H2,1-3H3,(H,29,34)(H,30,33)/t16-/m0/s1
InChIKeyYADSABIWNNYZPX-INIZCTEOSA-N
XLogP4.41
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(3S)-2-oxoazepan-3-yl]benzimidazole-4-carboxamide
CID 42375992
N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide
CID 42471990
6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)-N-(2-pyridin-3-yloxypropyl)benzimidazole-4-carboxamide
CID 45183711
2,5-dimethyl-N-(2-pyridin-3-yloxypropyl)furan-3-carboxamide
CID 90649337
6-acetamido-N-[2-(2-fluorophenyl)ethyl]-3-(2-methoxyethyl)-2-pyridin-2-ylbenzimidazole-4-carboxamide
CID 42164827
2-amino-6-methyl-N-[(2R)-2-pyridin-3-yloxypropyl]pyrimidine-4-carboxamide
CID 95192547
1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide
CID 25289510
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809
6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide
CID 42170463
3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide
CID 125445501

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide?
The IUPAC name of 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide (CID 42483858) is 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide?
The canonical SMILES for 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide is CCn1c(-c2ccccc2F)nc2cc(NC(C)=O)cc(C(=O)NC[C@H](C)Oc3cccnc3)c21.
What is the InChIKey of 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide?
The InChIKey is YADSABIWNNYZPX-INIZCTEOSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-4-32-24-21(26(34)29-14-16(2)35-19-8-7-11-28-15-19)12-18(30-17(3)33)13-23(24)31-25(32)20-9-5-6-10-22(20)27/h5-13,15-16H,4,14H2,1-3H3,(H,29,34)(H,30,33)/t16-/m0/s1.
What are the key properties of 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide?
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide has a molecular weight of 475.52 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 42483858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).