2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole

C20H22ClN5 — CID 67988569

IUPAC2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
SMILESC=C(C)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1
InChIInChI=1S/C20H22ClN5/c1-14(2)25-8-10-26(11-9-25)19-12-15(16(21)13-22-19)20-23-17-6-4-5-7-18(17)24(20)3/h4-7,12-13H,1,8-11H2,2-3H3
InChIKeyQMVJJLUTGRGLEF-UHFFFAOYSA-N
MW367.88 g/mol
LogP3.94
Rot. Bonds3

About 2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole

2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole (PubChem CID 67988569) has the molecular formula C20H22ClN5 and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
PubChem CID67988569
Molecular FormulaC20H22ClN5
Molecular Weight367.88 g/mol
Exact Mass367.16
IUPAC Name2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
SMILESC=C(C)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1
InChIInChI=1S/C20H22ClN5/c1-14(2)25-8-10-26(11-9-25)19-12-15(16(21)13-22-19)20-23-17-6-4-5-7-18(17)24(20)3/h4-7,12-13H,1,8-11H2,2-3H3
InChIKeyQMVJJLUTGRGLEF-UHFFFAOYSA-N
XLogP3.94
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-hydroxyethanone
CID 67971928
2-[5-chloro-2-(4,4-difluoropiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 67971570
5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine
CID 67988608
2-[5-chloro-2-(5-methylidene-1,4-diazepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 67988594
2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 123584150
2-[5-chloro-2-(3-methylsulfonylpyrrolidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 67971565
3-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]thiolane 1-oxide
CID 123191728
(1R,5S)-3-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(methyl)-λ4-sulfanyl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 162144867
1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(propyl)-λ4-sulfanyl]azetidin-3-amine
CID 159236022
[(3S,4S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 67988720
1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]piperazine-2,3-dione
CID 67971818
1-[1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]-1,4-diazepan-5-one
CID 67971123

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
The IUPAC name of 2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole (CID 67988569) is 2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole is C=C(C)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.
What is the InChIKey of 2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
The InChIKey is QMVJJLUTGRGLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5/c1-14(2)25-8-10-26(11-9-25)19-12-15(16(21)13-22-19)20-23-17-6-4-5-7-18(17)24(20)3/h4-7,12-13H,1,8-11H2,2-3H3.
What are the key properties of 2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole?
2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole has a molecular weight of 367.88 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole is sourced from PubChem (CID 67988569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).