1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine

C23H32N6O — CID 142035219

IUPAC1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine
SMILESCc1ccc(OCCN(C)C)c(Cn2c(NC3CCNCC3)nc3ccccc32)n1
InChIInChI=1S/C23H32N6O/c1-17-8-9-22(30-15-14-28(2)3)20(25-17)16-29-21-7-5-4-6-19(21)27-23(29)26-18-10-12-24-13-11-18/h4-9,18,24H,10-16H2,1-3H3,(H,26,27)
InChIKeyYZFMSZZIPJBNOC-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.89
Rot. Bonds8

About 1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine

1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine (PubChem CID 142035219) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine
PubChem CID142035219
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine
SMILESCc1ccc(OCCN(C)C)c(Cn2c(NC3CCNCC3)nc3ccccc32)n1
InChIInChI=1S/C23H32N6O/c1-17-8-9-22(30-15-14-28(2)3)20(25-17)16-29-21-7-5-4-6-19(21)27-23(29)26-18-10-12-24-13-11-18/h4-9,18,24H,10-16H2,1-3H3,(H,26,27)
InChIKeyYZFMSZZIPJBNOC-UHFFFAOYSA-N
XLogP2.89
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine with MolForge

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Related Compounds

1-benzyl-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018629
tert-butyl 4-[[1-[(3-butoxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 70320737
1-[(4-fluorophenyl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine;dihydrobromide
CID 3018631
N-piperidin-4-yl-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine;hydroiodide
CID 86756598
N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-1-[(3-ethoxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine;hydrate
CID 139939824
1-(2-phenoxyethyl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 15718956
N-piperidin-4-yl-1-(quinolin-2-ylmethyl)benzimidazol-2-amine;dihydrochloride
CID 22036977
N-pyrrolidin-3-yl-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 15037377
1-[(1-benzylimidazol-2-yl)methyl]-N-piperidin-4-ylbenzimidazol-2-amine
CID 140989898
ethyl 4-[2-(piperidin-4-ylamino)benzimidazol-1-yl]butanoate;hydroiodide
CID 86756600
1-[(E)-but-2-enyl]-N-piperidin-4-ylbenzimidazol-2-amine;ethane;3-fluoroprop-1-ene
CID 143187246
4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]cyclohexan-1-ol
CID 71649355

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine?
The IUPAC name of 1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine (CID 142035219) is 1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine.
What is the SMILES notation for 1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine?
The canonical SMILES for 1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine is Cc1ccc(OCCN(C)C)c(Cn2c(NC3CCNCC3)nc3ccccc32)n1.
What is the InChIKey of 1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine?
The InChIKey is YZFMSZZIPJBNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-17-8-9-22(30-15-14-28(2)3)20(25-17)16-29-21-7-5-4-6-19(21)27-23(29)26-18-10-12-24-13-11-18/h4-9,18,24H,10-16H2,1-3H3,(H,26,27).
What are the key properties of 1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine?
1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine has a molecular weight of 408.55 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(dimethylamino)ethoxy]-6-methyl-2-pyridinyl]methyl]-N-piperidin-4-ylbenzimidazol-2-amine is sourced from PubChem (CID 142035219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).