5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine

C24H34N6 — CID 24803713

IUPAC5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
SMILESCc1cc(C)c2nc(-c3cnc(N(C)CCCC4CCN(C)CC4)nc3C)[nH]c2c1
InChIInChI=1S/C24H34N6/c1-16-13-17(2)22-21(14-16)27-23(28-22)20-15-25-24(26-18(20)3)30(5)10-6-7-19-8-11-29(4)12-9-19/h13-15,19H,6-12H2,1-5H3,(H,27,28)
InChIKeyNDDDKWKUDSCDHZ-UHFFFAOYSA-N
MW406.58 g/mol
LogP4.50
Rot. Bonds6

About 5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine

5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine (PubChem CID 24803713) has the molecular formula C24H34N6 and a molecular weight of 406.58 g/mol. Its IUPAC name is 5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
PubChem CID24803713
Molecular FormulaC24H34N6
Molecular Weight406.58 g/mol
Exact Mass406.28
IUPAC Name5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
SMILESCc1cc(C)c2nc(-c3cnc(N(C)CCCC4CCN(C)CC4)nc3C)[nH]c2c1
InChIInChI=1S/C24H34N6/c1-16-13-17(2)22-21(14-16)27-23(28-22)20-15-25-24(26-18(20)3)30(5)10-6-7-19-8-11-29(4)12-9-19/h13-15,19H,6-12H2,1-5H3,(H,27,28)
InChIKeyNDDDKWKUDSCDHZ-UHFFFAOYSA-N
XLogP4.50
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-6-[3-(1-methylpiperidin-4-yl)propoxy]-3-pyridinyl]-4,6-dimethyl-1H-benzimidazole
CID 11407300
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
carbon dioxide;5-(4,6-dimethyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine;methane;methanol;prop-2-enoic acid
CID 157292636
2-(2,4-dimethylpyrimidin-5-yl)-4,6-dimethyl-1H-benzimidazole
CID 90401113
5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
CID 24804884
5-isocyano-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine;5-isocyano-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine;thiohypoiodous acid
CID 159240545
5-(6-methoxy-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
CID 24804548
6-fluoro-4-methyl-2-[4-methyl-1-[3-(1-methylpiperidin-4-yl)propyl]-2,3,3a,4-tetrahydroindol-5-yl]-1H-benzimidazole
CID 68940285
5-tert-butyl-4-methyl-2-[5-methyl-2-[4-(1-methylpiperidin-4-yl)butoxy]-4-pyridinyl]-1H-benzimidazole
CID 59812220
1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
CID 72943279
5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine
CID 24752045
2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-4,6-dimethyl-1H-benzimidazole
CID 11258459

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine?
The IUPAC name of 5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine (CID 24803713) is 5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for 5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for 5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine is Cc1cc(C)c2nc(-c3cnc(N(C)CCCC4CCN(C)CC4)nc3C)[nH]c2c1.
What is the InChIKey of 5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine?
The InChIKey is NDDDKWKUDSCDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6/c1-16-13-17(2)22-21(14-16)27-23(28-22)20-15-25-24(26-18(20)3)30(5)10-6-7-19-8-11-29(4)12-9-19/h13-15,19H,6-12H2,1-5H3,(H,27,28).
What are the key properties of 5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine?
5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine has a molecular weight of 406.58 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimethyl-1H-benzimidazol-2-yl)-N,4-dimethyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 24803713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).