1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea

C14H20N4O — CID 900415

IUPAC1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea
SMILESCc1nc2cc(NC(=O)NC(C)(C)C)ccc2n1C
InChIInChI=1S/C14H20N4O/c1-9-15-11-8-10(6-7-12(11)18(9)5)16-13(19)17-14(2,3)4/h6-8H,1-5H3,(H2,16,17,19)
InChIKeyIVLCROJSRREFRN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.80
Rot. Bonds1

About 1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea

1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea (PubChem CID 900415) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea
PubChem CID900415
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea
SMILESCc1nc2cc(NC(=O)NC(C)(C)C)ccc2n1C
InChIInChI=1S/C14H20N4O/c1-9-15-11-8-10(6-7-12(11)18(9)5)16-13(19)17-14(2,3)4/h6-8H,1-5H3,(H2,16,17,19)
InChIKeyIVLCROJSRREFRN-UHFFFAOYSA-N
XLogP2.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea?
The IUPAC name of 1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea (CID 900415) is 1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea is Cc1nc2cc(NC(=O)NC(C)(C)C)ccc2n1C.
What is the InChIKey of 1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea?
The InChIKey is IVLCROJSRREFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-15-11-8-10(6-7-12(11)18(9)5)16-13(19)17-14(2,3)4/h6-8H,1-5H3,(H2,16,17,19).
What are the key properties of 1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea?
1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea has a molecular weight of 260.34 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1,2-dimethylbenzimidazol-5-yl)urea is sourced from PubChem (CID 900415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).