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

C22H26N6 — CID 138465935

IUPACN,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
SMILESCCN(CC)c1ccc(-c2nc3ccccc3n2Cc2ccn(CC)n2)cn1
InChIInChI=1S/C22H26N6/c1-4-26(5-2)21-12-11-17(15-23-21)22-24-19-9-7-8-10-20(19)28(22)16-18-13-14-27(6-3)25-18/h7-15H,4-6,16H2,1-3H3
InChIKeyQOAHCQBMTFFNGX-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.21
Rot. Bonds7

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

N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine (PubChem CID 138465935) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
PubChem CID138465935
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC NameN,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
SMILESCCN(CC)c1ccc(-c2nc3ccccc3n2Cc2ccn(CC)n2)cn1
InChIInChI=1S/C22H26N6/c1-4-26(5-2)21-12-11-17(15-23-21)22-24-19-9-7-8-10-20(19)28(22)16-18-13-14-27(6-3)25-18/h7-15H,4-6,16H2,1-3H3
InChIKeyQOAHCQBMTFFNGX-UHFFFAOYSA-N
XLogP4.21
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
The IUPAC name of N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine (CID 138465935) is N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
The canonical SMILES for N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine is CCN(CC)c1ccc(-c2nc3ccccc3n2Cc2ccn(CC)n2)cn1.
What is the InChIKey of N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
The InChIKey is QOAHCQBMTFFNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-4-26(5-2)21-12-11-17(15-23-21)22-24-19-9-7-8-10-20(19)28(22)16-18-13-14-27(6-3)25-18/h7-15H,4-6,16H2,1-3H3.
What are the key properties of N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]benzimidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 138465935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).