1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea

C20H19N5OS — CID 91505728

IUPAC1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
SMILESO=C(Nc1ccc2c(c1)NC(c1cscn1)N2)NC1CC1c1ccccc1
InChIInChI=1S/C20H19N5OS/c26-20(25-16-9-14(16)12-4-2-1-3-5-12)22-13-6-7-15-17(8-13)24-19(23-15)18-10-27-11-21-18/h1-8,10-11,14,16,19,23-24H,9H2,(H2,22,25,26)
InChIKeyUFXSNTIIQUMGMA-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.36
Rot. Bonds4

About 1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea

1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea (PubChem CID 91505728) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea.

Molecular Properties

Compound Name1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
PubChem CID91505728
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
SMILESO=C(Nc1ccc2c(c1)NC(c1cscn1)N2)NC1CC1c1ccccc1
InChIInChI=1S/C20H19N5OS/c26-20(25-16-9-14(16)12-4-2-1-3-5-12)22-13-6-7-15-17(8-13)24-19(23-15)18-10-27-11-21-18/h1-8,10-11,14,16,19,23-24H,9H2,(H2,22,25,26)
InChIKeyUFXSNTIIQUMGMA-UHFFFAOYSA-N
XLogP4.36
TPSA78.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea?
The IUPAC name of 1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea (CID 91505728) is 1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea.
What is the SMILES notation for 1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea?
The canonical SMILES for 1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea is O=C(Nc1ccc2c(c1)NC(c1cscn1)N2)NC1CC1c1ccccc1.
What is the InChIKey of 1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea?
The InChIKey is UFXSNTIIQUMGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c26-20(25-16-9-14(16)12-4-2-1-3-5-12)22-13-6-7-15-17(8-13)24-19(23-15)18-10-27-11-21-18/h1-8,10-11,14,16,19,23-24H,9H2,(H2,22,25,26).
What are the key properties of 1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea?
1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea has a molecular weight of 377.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea is sourced from PubChem (CID 91505728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).