5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide

C18H21N5O3 — CID 45490474

IUPAC5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide
SMILESCCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C
InChIInChI=1S/C18H21N5O3/c1-5-26-16-12(17(19)25)9-22(3)15(16)18-21-13-8-11(20-10(2)24)6-7-14(13)23(18)4/h6-9H,5H2,1-4H3,(H2,19,25)(H,20,24)
InChIKeyVSSUKWKUEKJICH-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.03
Rot. Bonds5

About 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide

5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide (PubChem CID 45490474) 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-ethoxy-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide
PubChem CID45490474
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide
SMILESCCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C
InChIInChI=1S/C18H21N5O3/c1-5-26-16-12(17(19)25)9-22(3)15(16)18-21-13-8-11(20-10(2)24)6-7-14(13)23(18)4/h6-9H,5H2,1-4H3,(H2,19,25)(H,20,24)
InChIKeyVSSUKWKUEKJICH-UHFFFAOYSA-N
XLogP2.03
TPSA104.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.03
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-ethoxy-1-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide (CID 45490474) is 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide is CCOc1c(C(N)=O)cn(C)c1-c1nc2cc(NC(C)=O)ccc2n1C.
What is the InChIKey of 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide?
The InChIKey is VSSUKWKUEKJICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-5-26-16-12(17(19)25)9-22(3)15(16)18-21-13-8-11(20-10(2)24)6-7-14(13)23(18)4/h6-9H,5H2,1-4H3,(H2,19,25)(H,20,24).
What are the key properties of 5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide?
5-(5-acetamido-1-methylbenzimidazol-2-yl)-4-ethoxy-1-methylpyrrole-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.03, 5 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-ethoxy-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 45490474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).