1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea

C15H18N4O — CID 113081528

IUPAC1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea
SMILESO=C(NCc1nc2c([nH]1)CCCC2)Nc1ccccc1
InChIInChI=1S/C15H18N4O/c20-15(17-11-6-2-1-3-7-11)16-10-14-18-12-8-4-5-9-13(12)19-14/h1-3,6-7H,4-5,8-10H2,(H,18,19)(H2,16,17,20)
InChIKeyCXFZWMKPOKDGLS-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.61
Rot. Bonds3

About 1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea

1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea (PubChem CID 113081528) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea
PubChem CID113081528
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea
SMILESO=C(NCc1nc2c([nH]1)CCCC2)Nc1ccccc1
InChIInChI=1S/C15H18N4O/c20-15(17-11-6-2-1-3-7-11)16-10-14-18-12-8-4-5-9-13(12)19-14/h1-3,6-7H,4-5,8-10H2,(H,18,19)(H2,16,17,20)
InChIKeyCXFZWMKPOKDGLS-UHFFFAOYSA-N
XLogP2.61
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea?
The IUPAC name of 1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea (CID 113081528) is 1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea.
What is the SMILES notation for 1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea?
The canonical SMILES for 1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea is O=C(NCc1nc2c([nH]1)CCCC2)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea?
The InChIKey is CXFZWMKPOKDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(17-11-6-2-1-3-7-11)16-10-14-18-12-8-4-5-9-13(12)19-14/h1-3,6-7H,4-5,8-10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea?
1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea has a molecular weight of 270.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)urea is sourced from PubChem (CID 113081528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).