1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea

C19H21N5O2 — CID 66552581

IUPAC1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea
SMILESNCCCCNC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C19H21N5O2/c20-10-4-5-11-21-19(26)24-18-22-15-9-8-14(12-16(15)23-18)17(25)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11,20H2,(H3,21,22,23,24,26)
InChIKeyVCEUQTKYYDRYLK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.65
Rot. Bonds7

About 1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea

1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea (PubChem CID 66552581) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea
PubChem CID66552581
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea
SMILESNCCCCNC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C19H21N5O2/c20-10-4-5-11-21-19(26)24-18-22-15-9-8-14(12-16(15)23-18)17(25)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11,20H2,(H3,21,22,23,24,26)
InChIKeyVCEUQTKYYDRYLK-UHFFFAOYSA-N
XLogP2.65
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.65
H-Bond Donors ≤ 54
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-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea?
The IUPAC name of 1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea (CID 66552581) is 1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea.
What is the SMILES notation for 1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea?
The canonical SMILES for 1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea is NCCCCNC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of 1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea?
The InChIKey is VCEUQTKYYDRYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c20-10-4-5-11-21-19(26)24-18-22-15-9-8-14(12-16(15)23-18)17(25)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11,20H2,(H3,21,22,23,24,26).
What are the key properties of 1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea?
1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea has a molecular weight of 351.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)-3-(6-benzoyl-1H-benzimidazol-2-yl)urea is sourced from PubChem (CID 66552581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).