5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole

C25H30ClN5 — CID 42638420

IUPAC5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole
SMILESCc1c(Cl)ccc2[nH]c(-c3ccc4c(ncn4CCCC4CCN(C)CC4)c3C)nc12
InChIInChI=1S/C25H30ClN5/c1-16-19(25-28-21-8-7-20(26)17(2)23(21)29-25)6-9-22-24(16)27-15-31(22)12-4-5-18-10-13-30(3)14-11-18/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,28,29)
InChIKeyWPRVACIIJKBPTL-UHFFFAOYSA-N
MW436.00 g/mol
LogP5.97
Rot. Bonds5

About 5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole

5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole (PubChem CID 42638420) has the molecular formula C25H30ClN5 and a molecular weight of 436.00 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole
PubChem CID42638420
Molecular FormulaC25H30ClN5
Molecular Weight436.00 g/mol
Exact Mass435.22
IUPAC Name5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole
SMILESCc1c(Cl)ccc2[nH]c(-c3ccc4c(ncn4CCCC4CCN(C)CC4)c3C)nc12
InChIInChI=1S/C25H30ClN5/c1-16-19(25-28-21-8-7-20(26)17(2)23(21)29-25)6-9-22-24(16)27-15-31(22)12-4-5-18-10-13-30(3)14-11-18/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,28,29)
InChIKeyWPRVACIIJKBPTL-UHFFFAOYSA-N
XLogP5.97
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.00
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole
CID 59812220
2-[4-chloro-6-[3-(1-methylpiperidin-4-yl)propoxy]-3-pyridinyl]-4,6-dimethyl-1H-benzimidazole
CID 11407300
5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
CID 24804884
5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine
CID 24752045
2-[3-chloro-1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-3H-benzimidazole-5-carboxylic acid
CID 68875766
2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-5-fluoro-4-methyl-1H-benzimidazole
CID 11395949
5-chloro-2-(2-fluorophenyl)-4-methyl-1H-benzimidazole
CID 112741138
4-(6-fluoro-1H-benzimidazol-2-yl)-1-(4-piperidin-4-ylbutyl)benzimidazole
CID 66741019
5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
CID 24803713
1-[4-cyclobutyl-5-(4,5-dimethyl-1H-benzimidazol-2-yl)pyrimidin-2-yl]-2-[5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-propan-2-ylpyrimidin-2-yl]-1,2-bis[3-(1-methylpiperidin-4-yl)propyl]hydrazine
CID 90981580
5-chloro-2-ethoxy-4-methyl-1H-benzimidazole
CID 131057675
5-(6-methoxy-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
CID 24804548

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole?
The IUPAC name of 5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole (CID 42638420) is 5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole is Cc1c(Cl)ccc2[nH]c(-c3ccc4c(ncn4CCCC4CCN(C)CC4)c3C)nc12.
What is the InChIKey of 5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole?
The InChIKey is WPRVACIIJKBPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5/c1-16-19(25-28-21-8-7-20(26)17(2)23(21)29-25)6-9-22-24(16)27-15-31(22)12-4-5-18-10-13-30(3)14-11-18/h6-9,15,18H,4-5,10-14H2,1-3H3,(H,28,29).
What are the key properties of 5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole?
5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole has a molecular weight of 436.00 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 42638420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).