1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea

C15H15N5O — CID 36524001

IUPAC1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccccn1
InChIInChI=1S/C15H15N5O/c1-11(12-6-4-5-9-16-12)18-15(21)19-20-10-17-13-7-2-3-8-14(13)20/h2-11H,1H3,(H2,18,19,21)/t11-/m1/s1
InChIKeyVIFHHPHXTMHFAW-LLVKDONJSA-N
MW281.32 g/mol
LogP2.45
Rot. Bonds3

About 1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea

1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea (PubChem CID 36524001) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
PubChem CID36524001
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccccn1
InChIInChI=1S/C15H15N5O/c1-11(12-6-4-5-9-16-12)18-15(21)19-20-10-17-13-7-2-3-8-14(13)20/h2-11H,1H3,(H2,18,19,21)/t11-/m1/s1
InChIKeyVIFHHPHXTMHFAW-LLVKDONJSA-N
XLogP2.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(benzimidazol-1-yl)-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 41482613
1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea
CID 71990747
1-(benzimidazol-1-yl)-3-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 41482598
N-(benzimidazol-1-yl)acetamide
CID 2318657
3-methyl-2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61197140
benzimidazol-1-ylcarbamic acid
CID 21218422
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431867
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
1-(benzimidazol-1-yl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111478766
N-(benzimidazol-1-yl)-3-oxobutanamide
CID 87961400
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 33431970

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea (CID 36524001) is 1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea is C[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccccn1.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
The InChIKey is VIFHHPHXTMHFAW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11(12-6-4-5-9-16-12)18-15(21)19-20-10-17-13-7-2-3-8-14(13)20/h2-11H,1H3,(H2,18,19,21)/t11-/m1/s1.
What are the key properties of 1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea has a molecular weight of 281.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-[(1R)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 36524001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).