(1-methylbenzimidazol-5-yl)urea

C9H10N4O — CID 12521213

IUPAC(1-methylbenzimidazol-5-yl)urea
SMILESCn1cnc2cc(NC(N)=O)ccc21
InChIInChI=1S/C9H10N4O/c1-13-5-11-7-4-6(12-9(10)14)2-3-8(7)13/h2-5H,1H3,(H3,10,12,14)
InChIKeyAATDBTFUDBHVBP-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.06
Rot. Bonds1

About (1-methylbenzimidazol-5-yl)urea

(1-methylbenzimidazol-5-yl)urea (PubChem CID 12521213) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)urea.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)urea
PubChem CID12521213
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name(1-methylbenzimidazol-5-yl)urea
SMILESCn1cnc2cc(NC(N)=O)ccc21
InChIInChI=1S/C9H10N4O/c1-13-5-11-7-4-6(12-9(10)14)2-3-8(7)13/h2-5H,1H3,(H3,10,12,14)
InChIKeyAATDBTFUDBHVBP-UHFFFAOYSA-N
XLogP1.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
2-(aminomethyl)-N-(1-methylbenzimidazol-5-yl)butanamide
CID 115186851
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
2-[(1-methylbenzimidazol-5-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115165335
2-(4-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728531
N-(1-methylbenzimidazol-5-yl)morpholine-4-carboxamide
CID 110869159
3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide
CID 166390713
N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779100
3-methyl-N-(1-methylbenzimidazol-5-yl)thiophene-2-carboxamide
CID 112527462
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
2-(2-fluorophenyl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728564

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl)urea?
The IUPAC name of (1-methylbenzimidazol-5-yl)urea (CID 12521213) is (1-methylbenzimidazol-5-yl)urea.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)urea?
The canonical SMILES for (1-methylbenzimidazol-5-yl)urea is Cn1cnc2cc(NC(N)=O)ccc21.
What is the InChIKey of (1-methylbenzimidazol-5-yl)urea?
The InChIKey is AATDBTFUDBHVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-13-5-11-7-4-6(12-9(10)14)2-3-8(7)13/h2-5H,1H3,(H3,10,12,14).
What are the key properties of (1-methylbenzimidazol-5-yl)urea?
(1-methylbenzimidazol-5-yl)urea has a molecular weight of 190.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl)urea is sourced from PubChem (CID 12521213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).