5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine

C25H37N5 — CID 143556403

IUPAC5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine
SMILESCN1CCC(CCCNC2C=CC(c3nc4ccc(C(C)(C)C)cc4[nH]3)=CN2)CC1
InChIInChI=1S/C25H37N5/c1-25(2,3)20-8-9-21-22(16-20)29-24(28-21)19-7-10-23(27-17-19)26-13-5-6-18-11-14-30(4)15-12-18/h7-10,16-18,23,26-27H,5-6,11-15H2,1-4H3,(H,28,29)
InChIKeyWPACDKRQALHVKS-UHFFFAOYSA-N
MW407.61 g/mol
LogP4.40
Rot. Bonds6

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

5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine (PubChem CID 143556403) has the molecular formula C25H37N5 and a molecular weight of 407.61 g/mol. Its IUPAC name is 5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine
PubChem CID143556403
Molecular FormulaC25H37N5
Molecular Weight407.61 g/mol
Exact Mass407.30
IUPAC Name5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine
SMILESCN1CCC(CCCNC2C=CC(c3nc4ccc(C(C)(C)C)cc4[nH]3)=CN2)CC1
InChIInChI=1S/C25H37N5/c1-25(2,3)20-8-9-21-22(16-20)29-24(28-21)19-7-10-23(27-17-19)26-13-5-6-18-11-14-30(4)15-12-18/h7-10,16-18,23,26-27H,5-6,11-15H2,1-4H3,(H,28,29)
InChIKeyWPACDKRQALHVKS-UHFFFAOYSA-N
XLogP4.40
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.61
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(6-methoxy-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
CID 24804548
methyl [2-[6-[3-(1-methylpiperidin-4-yl)propylamino]-3-pyridinyl]-3H-benzimidazol-5-yl] carbonate
CID 68657468
6-tert-butyl-2-[4-[3-(4-methylpiperazin-1-yl)butoxy]phenyl]-1H-benzimidazole
CID 11304713
5-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-4-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]pyrimidin-2-amine
CID 24804884
6-tert-butyl-2-[4-[3-(4-methyl-1,4-diazepan-1-yl)butoxy]phenyl]-1H-benzimidazole
CID 11373913
2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-6-phenyl-1H-benzimidazole
CID 141392150
6-tert-butyl-2-[3-[4-(4-methyl-1,4-diazepan-1-yl)butoxy]phenyl]-1H-benzimidazole
CID 59812223
2-[1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-1H-benzo[f]benzimidazole
CID 42640237
2-tert-butyl-N-(1-methylpyrrolidin-3-yl)-3H-benzimidazol-5-amine
CID 62975044
methyl 2-[6-[methyl-[3-(1-methylpiperidin-4-yl)propyl]amino]-3-pyridinyl]-3H-benzimidazole-5-carboxylate
CID 24751754
2-[3-chloro-1-[4-(1-methylpiperidin-4-yl)butyl]indol-4-yl]-3H-benzimidazole-5-carboxylic acid
CID 68875766
5-(6-tert-butyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
CID 155678873

Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine?
The IUPAC name of 5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine (CID 143556403) is 5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine?
The canonical SMILES for 5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine is CN1CCC(CCCNC2C=CC(c3nc4ccc(C(C)(C)C)cc4[nH]3)=CN2)CC1.
What is the InChIKey of 5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine?
The InChIKey is WPACDKRQALHVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5/c1-25(2,3)20-8-9-21-22(16-20)29-24(28-21)19-7-10-23(27-17-19)26-13-5-6-18-11-14-30(4)15-12-18/h7-10,16-18,23,26-27H,5-6,11-15H2,1-4H3,(H,28,29).
What are the key properties of 5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine?
5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine has a molecular weight of 407.61 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 143556403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).