2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine

C24H29N5O3 — CID 70997767

IUPAC2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC(c1nc3c(OCCN(C)C)cc(C4C=NNC4)cc3[nH]1)CO2
InChIInChI=1S/C24H29N5O3/c1-29(2)6-7-31-22-11-15(18-12-25-26-13-18)10-20-23(22)28-24(27-20)17-8-16-9-19(30-3)4-5-21(16)32-14-17/h4-5,9-12,17-18,26H,6-8,13-14H2,1-3H3,(H,27,28)
InChIKeyOVXJSCGVPGKJKR-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.90
Rot. Bonds7

About 2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine

2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine (PubChem CID 70997767) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine
PubChem CID70997767
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)CC(c1nc3c(OCCN(C)C)cc(C4C=NNC4)cc3[nH]1)CO2
InChIInChI=1S/C24H29N5O3/c1-29(2)6-7-31-22-11-15(18-12-25-26-13-18)10-20-23(22)28-24(27-20)17-8-16-9-19(30-3)4-5-21(16)32-14-17/h4-5,9-12,17-18,26H,6-8,13-14H2,1-3H3,(H,27,28)
InChIKeyOVXJSCGVPGKJKR-UHFFFAOYSA-N
XLogP2.90
TPSA84.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine (CID 70997767) is 2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine is COc1ccc2c(c1)CC(c1nc3c(OCCN(C)C)cc(C4C=NNC4)cc3[nH]1)CO2.
What is the InChIKey of 2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine?
The InChIKey is OVXJSCGVPGKJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-29(2)6-7-31-22-11-15(18-12-25-26-13-18)10-20-23(22)28-24(27-20)17-8-16-9-19(30-3)4-5-21(16)32-14-17/h4-5,9-12,17-18,26H,6-8,13-14H2,1-3H3,(H,27,28).
What are the key properties of 2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine?
2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine has a molecular weight of 435.53 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4,5-dihydro-1H-pyrazol-4-yl)-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-benzimidazol-4-yl]oxy]-N,N-dimethylethanamine is sourced from PubChem (CID 70997767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).