1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea

C16H24N4O — CID 108885927

IUPAC1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H24N4O/c1-15(2,3)9-16(4,5)20-14(21)19-11-6-7-12-13(8-11)18-10-17-12/h6-8,10H,9H2,1-5H3,(H,17,18)(H2,19,20,21)
InChIKeyGJWLCWUGNMEPHY-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.90
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea

1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea (PubChem CID 108885927) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
PubChem CID108885927
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H24N4O/c1-15(2,3)9-16(4,5)20-14(21)19-11-6-7-12-13(8-11)18-10-17-12/h6-8,10H,9H2,1-5H3,(H,17,18)(H2,19,20,21)
InChIKeyGJWLCWUGNMEPHY-UHFFFAOYSA-N
XLogP3.90
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea
CID 110748284
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide
CID 115174966
methyl 3-(3H-benzimidazol-5-ylamino)-2,2-dimethyl-3-oxopropanoate
CID 115174752
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
1-(3H-benzimidazol-5-yl)-3-(4-iodophenyl)urea
CID 108886002
1-(3H-benzimidazol-5-yl)-3-dodecylurea
CID 58973015
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-[(2,4-dimethylphenoxy)methyl]urea
CID 108870768
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-(2,4,4-trimethylpentan-2-yl)urea?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea (CID 108885927) is 1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea is CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The InChIKey is GJWLCWUGNMEPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-15(2,3)9-16(4,5)20-14(21)19-11-6-7-12-13(8-11)18-10-17-12/h6-8,10H,9H2,1-5H3,(H,17,18)(H2,19,20,21).
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea has a molecular weight of 288.39 g/mol, XLogP of 3.90, 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-(2,4,4-trimethylpentan-2-yl)urea is sourced from PubChem (CID 108885927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).