1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea

C14H10Cl2N4O — CID 107653951

IUPAC1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H10Cl2N4O/c15-8-5-9(16)7-10(6-8)17-14(21)20-13-18-11-3-1-2-4-12(11)19-13/h1-7H,(H3,17,18,19,20,21)
InChIKeyUKDXPEKRGNRXKS-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.51
Rot. Bonds2

About 1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea

1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea (PubChem CID 107653951) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea
PubChem CID107653951
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H10Cl2N4O/c15-8-5-9(16)7-10(6-8)17-14(21)20-13-18-11-3-1-2-4-12(11)19-13/h1-7H,(H3,17,18,19,20,21)
InChIKeyUKDXPEKRGNRXKS-UHFFFAOYSA-N
XLogP4.51
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-benzimidazol-2-yl)-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 166873254
N-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)acetamide
CID 2678955
N-(1H-benzimidazol-2-yl)-5-chloro-2-fluorobenzamide
CID 51229012
1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
CID 69462051
1-(1H-benzimidazol-2-yl)-3-[2-(cyanomethyl)phenyl]urea
CID 171803128
N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 63563955
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
1-(3,5-dichlorophenyl)-3-(1H-1,2,4-triazol-5-yl)urea
CID 107653950
1-(1H-benzimidazol-2-yl)-3-cyclohexylurea
CID 4159955
2-amino-N-(1H-benzimidazol-2-yl)-6-chloropyridine-4-carboxamide
CID 62873677
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887
3-amino-N-(1H-benzimidazol-2-yl)-4,5-dichlorobenzamide
CID 63565379

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea (CID 107653951) is 1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is UKDXPEKRGNRXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-8-5-9(16)7-10(6-8)17-14(21)20-13-18-11-3-1-2-4-12(11)19-13/h1-7H,(H3,17,18,19,20,21).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea?
1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 321.17 g/mol, XLogP of 4.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107653951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).