5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine

C22H26ClN5 — CID 67988608

IUPAC5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine
SMILESC=C(C)N1CCC(N(C)c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1
InChIInChI=1S/C22H26ClN5/c1-15(2)28-11-9-16(10-12-28)26(3)21-13-17(18(23)14-24-21)22-25-19-7-5-6-8-20(19)27(22)4/h5-8,13-14,16H,1,9-12H2,2-4H3
InChIKeyLWLBHLIQNYPRPW-UHFFFAOYSA-N
MW395.94 g/mol
LogP4.72
Rot. Bonds4

About 5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine

5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine (PubChem CID 67988608) has the molecular formula C22H26ClN5 and a molecular weight of 395.94 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine
PubChem CID67988608
Molecular FormulaC22H26ClN5
Molecular Weight395.94 g/mol
Exact Mass395.19
IUPAC Name5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine
SMILESC=C(C)N1CCC(N(C)c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1
InChIInChI=1S/C22H26ClN5/c1-15(2)28-11-9-16(10-12-28)26(3)21-13-17(18(23)14-24-21)22-25-19-7-5-6-8-20(19)27(22)4/h5-8,13-14,16H,1,9-12H2,2-4H3
InChIKeyLWLBHLIQNYPRPW-UHFFFAOYSA-N
XLogP4.72
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-chloro-2-(4-prop-1-en-2-ylpiperazin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 67988569
2-[5-chloro-2-(3-methylpiperidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 123584150
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
2-[5-chloro-2-(3-methylsulfonylpyrrolidin-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 67971565
(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
[(3S,4S)-1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-4-(hydroxymethyl)-4-methylpyrrolidin-3-yl]methanol
CID 67988720
2-[5-chloro-2-(5-methylidene-1,4-diazepan-1-yl)-4-pyridinyl]-1-methylbenzimidazole
CID 67988594
1-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-N-[dihydroxy(propyl)-λ4-sulfanyl]azetidin-3-amine
CID 159236022
3-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]thiolane 1-oxide
CID 123191728
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 5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine (CID 67988608) is 5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine is C=C(C)N1CCC(N(C)c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is LWLBHLIQNYPRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5/c1-15(2)28-11-9-16(10-12-28)26(3)21-13-17(18(23)14-24-21)22-25-19-7-5-6-8-20(19)27(22)4/h5-8,13-14,16H,1,9-12H2,2-4H3.
What are the key properties of 5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine?
5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 395.94 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-(1-methylbenzimidazol-2-yl)-N-(1-prop-1-en-2-ylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 67988608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).