2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide

C20H17N5O — CID 119100870

IUPAC2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)NCc1ccnc(-c2ccncc2)c1
InChIInChI=1S/C20H17N5O/c26-20(13-25-14-24-17-3-1-2-4-19(17)25)23-12-15-5-10-22-18(11-15)16-6-8-21-9-7-16/h1-11,14H,12-13H2,(H,23,26)
InChIKeyRQQRBCAVFAVUKO-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.81
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide

2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide (PubChem CID 119100870) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
PubChem CID119100870
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)NCc1ccnc(-c2ccncc2)c1
InChIInChI=1S/C20H17N5O/c26-20(13-25-14-24-17-3-1-2-4-19(17)25)23-12-15-5-10-22-18(11-15)16-6-8-21-9-7-16/h1-11,14H,12-13H2,(H,23,26)
InChIKeyRQQRBCAVFAVUKO-UHFFFAOYSA-N
XLogP2.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 119100867
2-(4-oxoquinazolin-3-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 91625669
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]quinoline-2-carboxamide
CID 121165463
2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165301
2-(benzimidazol-1-yl)-N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]acetamide
CID 122162969
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate
CID 121165477
2-(benzimidazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885288
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165926
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165464

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide (CID 119100870) is 2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide is O=C(Cn1cnc2ccccc21)NCc1ccnc(-c2ccncc2)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is RQQRBCAVFAVUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c26-20(13-25-14-24-17-3-1-2-4-19(17)25)23-12-15-5-10-22-18(11-15)16-6-8-21-9-7-16/h1-11,14H,12-13H2,(H,23,26).
What are the key properties of 2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide?
2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 119100870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).