N-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine

C23H27N5O2 — CID 175099680

IUPACN-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine
SMILESCCN(Cc1nc2ccc(Oc3ccc(-c4ccn[nH]4)cc3)cc2[nH]1)C(C)COC
InChIInChI=1S/C23H27N5O2/c1-4-28(16(2)15-29-3)14-23-25-21-10-9-19(13-22(21)26-23)30-18-7-5-17(6-8-18)20-11-12-24-27-20/h5-13,16H,4,14-15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyHSTMOISBVYSKBD-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.60
Rot. Bonds9

About N-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine

N-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine (PubChem CID 175099680) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine
PubChem CID175099680
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine
SMILESCCN(Cc1nc2ccc(Oc3ccc(-c4ccn[nH]4)cc3)cc2[nH]1)C(C)COC
InChIInChI=1S/C23H27N5O2/c1-4-28(16(2)15-29-3)14-23-25-21-10-9-19(13-22(21)26-23)30-18-7-5-17(6-8-18)20-11-12-24-27-20/h5-13,16H,4,14-15H2,1-3H3,(H,24,27)(H,25,26)
InChIKeyHSTMOISBVYSKBD-UHFFFAOYSA-N
XLogP4.60
TPSA79.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine (CID 175099680) is N-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine is CCN(Cc1nc2ccc(Oc3ccc(-c4ccn[nH]4)cc3)cc2[nH]1)C(C)COC.
What is the InChIKey of N-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine?
The InChIKey is HSTMOISBVYSKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-4-28(16(2)15-29-3)14-23-25-21-10-9-19(13-22(21)26-23)30-18-7-5-17(6-8-18)20-11-12-24-27-20/h5-13,16H,4,14-15H2,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine?
N-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine has a molecular weight of 405.50 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-N-[[6-[4-(1H-pyrazol-5-yl)phenoxy]-1H-benzimidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 175099680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).