1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide

C24H26N4O — CID 159604594

IUPAC1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)n(C)c1
InChIInChI=1S/C24H26N4O/c1-17-13-23(27(2)15-17)24(29)25-12-4-5-18-6-8-19(9-7-18)20-10-11-22-21(14-20)26-16-28(22)3/h6-11,13-16H,4-5,12H2,1-3H3,(H,25,29)
InChIKeyFVVQTMYBADIFAA-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.25
Rot. Bonds6

About 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide

1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide (PubChem CID 159604594) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide
PubChem CID159604594
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide
SMILESCc1cc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)n(C)c1
InChIInChI=1S/C24H26N4O/c1-17-13-23(27(2)15-17)24(29)25-12-4-5-18-6-8-19(9-7-18)20-10-11-22-21(14-20)26-16-28(22)3/h6-11,13-16H,4-5,12H2,1-3H3,(H,25,29)
InChIKeyFVVQTMYBADIFAA-UHFFFAOYSA-N
XLogP4.25
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide (CID 159604594) is 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide is Cc1cc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)n(C)c1.
What is the InChIKey of 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide?
The InChIKey is FVVQTMYBADIFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-13-23(27(2)15-17)24(29)25-12-4-5-18-6-8-19(9-7-18)20-10-11-22-21(14-20)26-16-28(22)3/h6-11,13-16H,4-5,12H2,1-3H3,(H,25,29).
What are the key properties of 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide?
1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide is sourced from PubChem (CID 159604594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).