1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea

C14H16N4O — CID 108915520

IUPAC1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea
SMILESC/C(=C\NC(=O)Nc1ccc2nc[nH]c2c1)C1CC1
InChIInChI=1S/C14H16N4O/c1-9(10-2-3-10)7-15-14(19)18-11-4-5-12-13(6-11)17-8-16-12/h4-8,10H,2-3H2,1H3,(H,16,17)(H2,15,18,19)/b9-7+
InChIKeyFGDFFAXTHXSSJP-VQHVLOKHSA-N
MW256.31 g/mol
LogP3.00
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea

1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea (PubChem CID 108915520) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea
PubChem CID108915520
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea
SMILESC/C(=C\NC(=O)Nc1ccc2nc[nH]c2c1)C1CC1
InChIInChI=1S/C14H16N4O/c1-9(10-2-3-10)7-15-14(19)18-11-4-5-12-13(6-11)17-8-16-12/h4-8,10H,2-3H2,1H3,(H,16,17)(H2,15,18,19)/b9-7+
InChIKeyFGDFFAXTHXSSJP-VQHVLOKHSA-N
XLogP3.00
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea (CID 108915520) is 1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea is C/C(=C\NC(=O)Nc1ccc2nc[nH]c2c1)C1CC1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea?
The InChIKey is FGDFFAXTHXSSJP-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9(10-2-3-10)7-15-14(19)18-11-4-5-12-13(6-11)17-8-16-12/h4-8,10H,2-3H2,1H3,(H,16,17)(H2,15,18,19)/b9-7+.
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea?
1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea has a molecular weight of 256.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea is sourced from PubChem (CID 108915520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).