2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

C19H19F2N5O — CID 119050586

IUPAC2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESCc1nc2cc(F)c(F)cc2n1CC(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H19F2N5O/c1-12-23-16-8-14(20)15(21)9-17(16)26(12)11-19(27)24-13-4-5-18(22-10-13)25-6-2-3-7-25/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,24,27)
InChIKeyWAKSTUQSAFYWRJ-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.26
Rot. Bonds4

About 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (PubChem CID 119050586) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
PubChem CID119050586
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESCc1nc2cc(F)c(F)cc2n1CC(=O)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H19F2N5O/c1-12-23-16-8-14(20)15(21)9-17(16)26(12)11-19(27)24-13-4-5-18(22-10-13)25-6-2-3-7-25/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,24,27)
InChIKeyWAKSTUQSAFYWRJ-UHFFFAOYSA-N
XLogP3.26
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
2-(3,3-dimethylpiperidin-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 136525298
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
2,2-dimethyl-4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butanoic acid
CID 65302404
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
3-acetamido-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47140496
1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967771
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 51075276
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041625

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (CID 119050586) is 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is WAKSTUQSAFYWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-12-23-16-8-14(20)15(21)9-17(16)26(12)11-19(27)24-13-4-5-18(22-10-13)25-6-2-3-7-25/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,24,27).
What are the key properties of 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 371.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 119050586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).