N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide

C17H16ClN5O — CID 123557081

IUPACN-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(c2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)C1
InChIInChI=1S/C17H16ClN5O/c1-10(24)20-11-8-23(9-11)16-6-12(13(18)7-19-16)17-21-14-4-2-3-5-15(14)22-17/h2-7,11H,8-9H2,1H3,(H,20,24)(H,21,22)
InChIKeyBTDIOEGVYKGHMH-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.60
Rot. Bonds3

About N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide

N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide (PubChem CID 123557081) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide
PubChem CID123557081
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(c2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)C1
InChIInChI=1S/C17H16ClN5O/c1-10(24)20-11-8-23(9-11)16-6-12(13(18)7-19-16)17-21-14-4-2-3-5-15(14)22-17/h2-7,11H,8-9H2,1H3,(H,20,24)(H,21,22)
InChIKeyBTDIOEGVYKGHMH-UHFFFAOYSA-N
XLogP2.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 123421115
4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide
CID 123606914
4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazine-1-carboxamide
CID 123643221
1-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperidin-4-yl]-1,3-dimethylurea
CID 123246253
1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 123503570
1-[4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 123671232
3-[4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazin-1-yl]thiolane 1-oxide
CID 123872023
8-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decane
CID 123644264
7-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 123520438
8-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 123944758
1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 123829889
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide?
The IUPAC name of N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide (CID 123557081) is N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide?
The canonical SMILES for N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide is CC(=O)NC1CN(c2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)C1.
What is the InChIKey of N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide?
The InChIKey is BTDIOEGVYKGHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-10(24)20-11-8-23(9-11)16-6-12(13(18)7-19-16)17-21-14-4-2-3-5-15(14)22-17/h2-7,11H,8-9H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide?
N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide has a molecular weight of 341.80 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 123557081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).