3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide

C18H19N5O2 — CID 37294247

IUPAC3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
SMILESCNC(=O)Nc1cccc(NC(=O)CCn2cnc3ccccc32)c1
InChIInChI=1S/C18H19N5O2/c1-19-18(25)22-14-6-4-5-13(11-14)21-17(24)9-10-23-12-20-15-7-2-3-8-16(15)23/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H2,19,22,25)
InChIKeyTWZGLQUTGFFSST-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.82
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide

3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide (PubChem CID 37294247) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
PubChem CID37294247
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
SMILESCNC(=O)Nc1cccc(NC(=O)CCn2cnc3ccccc32)c1
InChIInChI=1S/C18H19N5O2/c1-19-18(25)22-14-6-4-5-13(11-14)21-17(24)9-10-23-12-20-15-7-2-3-8-16(15)23/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H2,19,22,25)
InChIKeyTWZGLQUTGFFSST-UHFFFAOYSA-N
XLogP2.82
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide (CID 37294247) is 3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide is CNC(=O)Nc1cccc(NC(=O)CCn2cnc3ccccc32)c1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide?
The InChIKey is TWZGLQUTGFFSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-19-18(25)22-14-6-4-5-13(11-14)21-17(24)9-10-23-12-20-15-7-2-3-8-16(15)23/h2-8,11-12H,9-10H2,1H3,(H,21,24)(H2,19,22,25).
What are the key properties of 3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide?
3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 37294247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).