1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea

C13H22N4O — CID 3063047

IUPAC1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea
SMILESCCn1cnc2c1CCC(NC(=O)NC(C)C)C2
InChIInChI=1S/C13H22N4O/c1-4-17-8-14-11-7-10(5-6-12(11)17)16-13(18)15-9(2)3/h8-10H,4-7H2,1-3H3,(H2,15,16,18)
InChIKeyYDGGNODTPNXCNN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.47
Rot. Bonds3

About 1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea

1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea (PubChem CID 3063047) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea
PubChem CID3063047
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea
SMILESCCn1cnc2c1CCC(NC(=O)NC(C)C)C2
InChIInChI=1S/C13H22N4O/c1-4-17-8-14-11-7-10(5-6-12(11)17)16-13(18)15-9(2)3/h8-10H,4-7H2,1-3H3,(H2,15,16,18)
InChIKeyYDGGNODTPNXCNN-UHFFFAOYSA-N
XLogP1.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea (CID 3063047) is 1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea is CCn1cnc2c1CCC(NC(=O)NC(C)C)C2.
What is the InChIKey of 1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea?
The InChIKey is YDGGNODTPNXCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-17-8-14-11-7-10(5-6-12(11)17)16-13(18)15-9(2)3/h8-10H,4-7H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea?
1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea has a molecular weight of 250.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)-3-propan-2-ylurea is sourced from PubChem (CID 3063047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).