1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea

C15H12N6O — CID 108885965

IUPAC1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea
SMILESO=C(Nc1ccc2cn[nH]c2c1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H12N6O/c22-15(19-10-2-1-9-7-18-21-13(9)5-10)20-11-3-4-12-14(6-11)17-8-16-12/h1-8H,(H,16,17)(H,18,21)(H2,19,20,22)
InChIKeyBLANUYCVTOGXQR-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.08
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea

1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea (PubChem CID 108885965) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea
PubChem CID108885965
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea
SMILESO=C(Nc1ccc2cn[nH]c2c1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H12N6O/c22-15(19-10-2-1-9-7-18-21-13(9)5-10)20-11-3-4-12-14(6-11)17-8-16-12/h1-8H,(H,16,17)(H,18,21)(H2,19,20,22)
InChIKeyBLANUYCVTOGXQR-UHFFFAOYSA-N
XLogP3.08
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
1-(3H-benzimidazol-5-yl)-3-(4-iodophenyl)urea
CID 108886002
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896278
1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea
CID 108886074
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
1-(3H-benzimidazol-5-yl)-3-(3-chloro-4-fluorophenyl)urea
CID 108885972
1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
CID 108886016

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea (CID 108885965) is 1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea is O=C(Nc1ccc2cn[nH]c2c1)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea?
The InChIKey is BLANUYCVTOGXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c22-15(19-10-2-1-9-7-18-21-13(9)5-10)20-11-3-4-12-14(6-11)17-8-16-12/h1-8H,(H,16,17)(H,18,21)(H2,19,20,22).
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea?
1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea has a molecular weight of 292.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea is sourced from PubChem (CID 108885965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).