5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide

C18H21N5O3 — CID 45490466

IUPAC5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
SMILESCNC(=O)c1cn(C)c(-c2nc3cc(NC(C)=O)ccc3n2C)c1OC
InChIInChI=1S/C18H21N5O3/c1-10(24)20-11-6-7-14-13(8-11)21-17(23(14)4)15-16(26-5)12(9-22(15)3)18(25)19-2/h6-9H,1-5H3,(H,19,25)(H,20,24)
InChIKeyKBMUJQFDIUBIBI-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.91
Rot. Bonds4

About 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide

5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide (PubChem CID 45490466) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
PubChem CID45490466
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide
SMILESCNC(=O)c1cn(C)c(-c2nc3cc(NC(C)=O)ccc3n2C)c1OC
InChIInChI=1S/C18H21N5O3/c1-10(24)20-11-6-7-14-13(8-11)21-17(23(14)4)15-16(26-5)12(9-22(15)3)18(25)19-2/h6-9H,1-5H3,(H,19,25)(H,20,24)
InChIKeyKBMUJQFDIUBIBI-UHFFFAOYSA-N
XLogP1.91
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide?
The IUPAC name of 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide (CID 45490466) is 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide is CNC(=O)c1cn(C)c(-c2nc3cc(NC(C)=O)ccc3n2C)c1OC.
What is the InChIKey of 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide?
The InChIKey is KBMUJQFDIUBIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-10(24)20-11-6-7-14-13(8-11)21-17(23(14)4)15-16(26-5)12(9-22(15)3)18(25)19-2/h6-9H,1-5H3,(H,19,25)(H,20,24).
What are the key properties of 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide?
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-methoxy-N,1-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 45490466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).