N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine

C22H26N6O — CID 166632833

IUPACN,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
SMILESCCN(CC)c1ccc(-c2nc3cccc(OC)c3n2Cc2ccn(C)n2)cn1
InChIInChI=1S/C22H26N6O/c1-5-27(6-2)20-11-10-16(14-23-20)22-24-18-8-7-9-19(29-4)21(18)28(22)15-17-12-13-26(3)25-17/h7-14H,5-6,15H2,1-4H3
InChIKeyDWGYVMWJUBWIHA-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.73
Rot. Bonds7

About N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine

N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine (PubChem CID 166632833) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
PubChem CID166632833
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
SMILESCCN(CC)c1ccc(-c2nc3cccc(OC)c3n2Cc2ccn(C)n2)cn1
InChIInChI=1S/C22H26N6O/c1-5-27(6-2)20-11-10-16(14-23-20)22-24-18-8-7-9-19(29-4)21(18)28(22)15-17-12-13-26(3)25-17/h7-14H,5-6,15H2,1-4H3
InChIKeyDWGYVMWJUBWIHA-UHFFFAOYSA-N
XLogP3.73
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
The IUPAC name of N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine (CID 166632833) is N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
The canonical SMILES for N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine is CCN(CC)c1ccc(-c2nc3cccc(OC)c3n2Cc2ccn(C)n2)cn1.
What is the InChIKey of N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
The InChIKey is DWGYVMWJUBWIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-5-27(6-2)20-11-10-16(14-23-20)22-24-18-8-7-9-19(29-4)21(18)28(22)15-17-12-13-26(3)25-17/h7-14H,5-6,15H2,1-4H3.
What are the key properties of N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine has a molecular weight of 390.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[7-methoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 166632833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).