1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea

C17H24N4O — CID 99808486

IUPAC1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea
SMILESC[C@@H]1CCC[C@H](CCNC(=O)Nn2cnc3ccccc32)C1
InChIInChI=1S/C17H24N4O/c1-13-5-4-6-14(11-13)9-10-18-17(22)20-21-12-19-15-7-2-3-8-16(15)21/h2-3,7-8,12-14H,4-6,9-11H2,1H3,(H2,18,20,22)/t13-,14-/m1/s1
InChIKeyRSDHKCILDIFVBU-ZIAGYGMSSA-N
MW300.41 g/mol
LogP3.51
Rot. Bonds4

About 1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea

1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea (PubChem CID 99808486) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea
PubChem CID99808486
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea
SMILESC[C@@H]1CCC[C@H](CCNC(=O)Nn2cnc3ccccc32)C1
InChIInChI=1S/C17H24N4O/c1-13-5-4-6-14(11-13)9-10-18-17(22)20-21-12-19-15-7-2-3-8-16(15)21/h2-3,7-8,12-14H,4-6,9-11H2,1H3,(H2,18,20,22)/t13-,14-/m1/s1
InChIKeyRSDHKCILDIFVBU-ZIAGYGMSSA-N
XLogP3.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea?
The IUPAC name of 1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea (CID 99808486) is 1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea is C[C@@H]1CCC[C@H](CCNC(=O)Nn2cnc3ccccc32)C1.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea?
The InChIKey is RSDHKCILDIFVBU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-5-4-6-14(11-13)9-10-18-17(22)20-21-12-19-15-7-2-3-8-16(15)21/h2-3,7-8,12-14H,4-6,9-11H2,1H3,(H2,18,20,22)/t13-,14-/m1/s1.
What are the key properties of 1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea?
1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea has a molecular weight of 300.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-[2-[(1S,3R)-3-methylcyclohexyl]ethyl]urea is sourced from PubChem (CID 99808486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).