1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea

C15H15N5O — CID 27165351

IUPAC1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NNc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H15N5O/c1-10-6-8-11(9-7-10)16-15(21)20-19-14-17-12-4-2-3-5-13(12)18-14/h2-9H,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyZZMIPTSRZQYMFO-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.02
Rot. Bonds3

About 1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea

1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea (PubChem CID 27165351) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea
PubChem CID27165351
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NNc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H15N5O/c1-10-6-8-11(9-7-10)16-15(21)20-19-14-17-12-4-2-3-5-13(12)18-14/h2-9H,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyZZMIPTSRZQYMFO-UHFFFAOYSA-N
XLogP3.02
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(1H-benzimidazol-2-yl)acetohydrazide
CID 14088792
ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902
1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
CID 69462051
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 84830739
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(4-methylphenyl)sulfanylurea
CID 21154625
1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea
CID 107653951
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 163329363
N-(1H-benzimidazol-2-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27649612
N-(1H-benzimidazol-2-yl)-4-(carbamoylamino)benzamide
CID 2477191

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea (CID 27165351) is 1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NNc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea?
The InChIKey is ZZMIPTSRZQYMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-6-8-11(9-7-10)16-15(21)20-19-14-17-12-4-2-3-5-13(12)18-14/h2-9H,1H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea?
1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea has a molecular weight of 281.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylamino)-3-(4-methylphenyl)urea is sourced from PubChem (CID 27165351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).