3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide

C26H38N6O2 — CID 136640514

IUPAC3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide
SMILESCCCC(CCC1CC1)CC(=O)Nc1cn[nH]c1-c1nc2c([nH]1)CCC(CN1CCOCC1)=C2
InChIInChI=1S/C26H38N6O2/c1-2-3-19(7-6-18-4-5-18)15-24(33)28-23-16-27-31-25(23)26-29-21-9-8-20(14-22(21)30-26)17-32-10-12-34-13-11-32/h14,16,18-19H,2-13,15,17H2,1H3,(H,27,31)(H,28,33)(H,29,30)
InChIKeySUFRDZOTKYAMBX-UHFFFAOYSA-N
MW466.63 g/mol
LogP4.40
Rot. Bonds11

About 3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide

3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide (PubChem CID 136640514) has the molecular formula C26H38N6O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide.

Molecular Properties

Compound Name3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide
PubChem CID136640514
Molecular FormulaC26H38N6O2
Molecular Weight466.63 g/mol
Exact Mass466.31
IUPAC Name3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide
SMILESCCCC(CCC1CC1)CC(=O)Nc1cn[nH]c1-c1nc2c([nH]1)CCC(CN1CCOCC1)=C2
InChIInChI=1S/C26H38N6O2/c1-2-3-19(7-6-18-4-5-18)15-24(33)28-23-16-27-31-25(23)26-29-21-9-8-20(14-22(21)30-26)17-32-10-12-34-13-11-32/h14,16,18-19H,2-13,15,17H2,1H3,(H,27,31)(H,28,33)(H,29,30)
InChIKeySUFRDZOTKYAMBX-UHFFFAOYSA-N
XLogP4.40
TPSA98.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide?
The IUPAC name of 3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide (CID 136640514) is 3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide.
What is the SMILES notation for 3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide?
The canonical SMILES for 3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide is CCCC(CCC1CC1)CC(=O)Nc1cn[nH]c1-c1nc2c([nH]1)CCC(CN1CCOCC1)=C2.
What is the InChIKey of 3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide?
The InChIKey is SUFRDZOTKYAMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O2/c1-2-3-19(7-6-18-4-5-18)15-24(33)28-23-16-27-31-25(23)26-29-21-9-8-20(14-22(21)30-26)17-32-10-12-34-13-11-32/h14,16,18-19H,2-13,15,17H2,1H3,(H,27,31)(H,28,33)(H,29,30).
What are the key properties of 3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide?
3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide has a molecular weight of 466.63 g/mol, XLogP of 4.40, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethyl)-N-[5-[5-(morpholin-4-ylmethyl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]hexanamide is sourced from PubChem (CID 136640514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).