4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide

C18H19ClN6O — CID 123606914

IUPAC4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(c2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)CC1
InChIInChI=1S/C18H19ClN6O/c1-20-18(26)25-8-6-24(7-9-25)16-10-12(13(19)11-21-16)17-22-14-4-2-3-5-15(14)23-17/h2-5,10-11H,6-9H2,1H3,(H,20,26)(H,22,23)
InChIKeyBZMYRUMSMSOTLN-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.74
Rot. Bonds2

About 4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide

4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide (PubChem CID 123606914) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide
PubChem CID123606914
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(c2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)CC1
InChIInChI=1S/C18H19ClN6O/c1-20-18(26)25-8-6-24(7-9-25)16-10-12(13(19)11-21-16)17-22-14-4-2-3-5-15(14)23-17/h2-5,10-11H,6-9H2,1H3,(H,20,26)(H,22,23)
InChIKeyBZMYRUMSMSOTLN-UHFFFAOYSA-N
XLogP2.74
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazine-1-carboxamide
CID 123643221
1-[4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 123671232
1-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperidin-4-yl]-1,3-dimethylurea
CID 123246253
N-[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]azetidin-3-yl]acetamide
CID 123557081
1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 123829889
1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 123503570
[1-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 123421115
3-[4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]piperazin-1-yl]thiolane 1-oxide
CID 123872023
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]decane
CID 123644264
8-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 123944758
azetidin-3-yl-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepan-1-yl]methanone
CID 59568258

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide (CID 123606914) is 4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide is CNC(=O)N1CCN(c2cc(-c3nc4ccccc4[nH]3)c(Cl)cn2)CC1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide?
The InChIKey is BZMYRUMSMSOTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-20-18(26)25-8-6-24(7-9-25)16-10-12(13(19)11-21-16)17-22-14-4-2-3-5-15(14)23-17/h2-5,10-11H,6-9H2,1H3,(H,20,26)(H,22,23).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide?
4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)-5-chloro-2-pyridinyl]-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 123606914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).