7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C22H26N4O2 — CID 74236196

IUPAC7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCCn1cnc2cc(NC(=O)N3CCc4ccc(OC)cc4C3C)ccc21
InChIInChI=1S/C22H26N4O2/c1-4-10-25-14-23-20-12-17(6-8-21(20)25)24-22(27)26-11-9-16-5-7-18(28-3)13-19(16)15(26)2/h5-8,12-15H,4,9-11H2,1-3H3,(H,24,27)
InChIKeyJXEMNQNOANZDCL-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.61
Rot. Bonds4

About 7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 74236196) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID74236196
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCCn1cnc2cc(NC(=O)N3CCc4ccc(OC)cc4C3C)ccc21
InChIInChI=1S/C22H26N4O2/c1-4-10-25-14-23-20-12-17(6-8-21(20)25)24-22(27)26-11-9-16-5-7-18(28-3)13-19(16)15(26)2/h5-8,12-15H,4,9-11H2,1-3H3,(H,24,27)
InChIKeyJXEMNQNOANZDCL-UHFFFAOYSA-N
XLogP4.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 74236196) is 7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is CCCn1cnc2cc(NC(=O)N3CCc4ccc(OC)cc4C3C)ccc21.
What is the InChIKey of 7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is JXEMNQNOANZDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-10-25-14-23-20-12-17(6-8-21(20)25)24-22(27)26-11-9-16-5-7-18(28-3)13-19(16)15(26)2/h5-8,12-15H,4,9-11H2,1-3H3,(H,24,27).
What are the key properties of 7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-N-(1-propylbenzimidazol-5-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 74236196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).