methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate

C24H31N5O2 — CID 24751754

IUPACmethyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(N(C)CCCC4CCN(C)CC4)nc3)[nH]c2c1
InChIInChI=1S/C24H31N5O2/c1-28-13-10-17(11-14-28)5-4-12-29(2)22-9-7-19(16-25-22)23-26-20-8-6-18(24(30)31-3)15-21(20)27-23/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,26,27)
InChIKeyRUSNXGOWWXEUGD-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.97
Rot. Bonds7

About methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate

methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate (PubChem CID 24751754) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate
PubChem CID24751754
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Namemethyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(N(C)CCCC4CCN(C)CC4)nc3)[nH]c2c1
InChIInChI=1S/C24H31N5O2/c1-28-13-10-17(11-14-28)5-4-12-29(2)22-9-7-19(16-25-22)23-26-20-8-6-18(24(30)31-3)15-21(20)27-23/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,26,27)
InChIKeyRUSNXGOWWXEUGD-UHFFFAOYSA-N
XLogP3.97
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate with MolForge

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Related Compounds

methyl [2-[6-[3-(1-methylpiperidin-4-yl)propylamino]-3-pyridinyl]-3H-benzimidazol-5-yl] carbonate
CID 68657468
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
methyl 2-(4-aminophenyl)-3H-benzimidazole-5-carboxylate
CID 4915421
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
methyl 2-(4-propoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902829
methyl 2-(4-morpholin-4-ylsulfonylphenyl)-3H-benzimidazole-5-carboxylate
CID 103597300
methyl 2-(3,4-dihydroxyphenyl)-3H-benzimidazole-5-carboxylate
CID 136663209
5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine
CID 24752045
methyl 3-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]benzoate
CID 71110530
methyl 2-(3-fluorophenyl)-3H-benzimidazole-5-carboxylate
CID 56737080
2-[3-chloro-1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-3H-benzimidazole-5-carboxylic acid
CID 68875766
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 methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate (CID 24751754) is methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate is COC(=O)c1ccc2nc(-c3ccc(N(C)CCCC4CCN(C)CC4)nc3)[nH]c2c1.
What is the InChIKey of methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate?
The InChIKey is RUSNXGOWWXEUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-28-13-10-17(11-14-28)5-4-12-29(2)22-9-7-19(16-25-22)23-26-20-8-6-18(24(30)31-3)15-21(20)27-23/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,26,27).
What are the key properties of methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate?
methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate has a molecular weight of 421.55 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 24751754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).