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

C20H17N5OS — CID 10429544

IUPAC1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea
SMILESO=C(Nc1ccc2nc(-c3cscn3)[nH]c2c1)NC1(c2ccccc2)CC1
InChIInChI=1S/C20H17N5OS/c26-19(25-20(8-9-20)13-4-2-1-3-5-13)22-14-6-7-15-16(10-14)24-18(23-15)17-11-27-12-21-17/h1-7,10-12H,8-9H2,(H,23,24)(H2,22,25,26)
InChIKeySASPFCWLZHJKBE-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.50
Rot. Bonds4

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

1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea (PubChem CID 10429544) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea.

Molecular Properties

Compound Name1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea
PubChem CID10429544
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea
SMILESO=C(Nc1ccc2nc(-c3cscn3)[nH]c2c1)NC1(c2ccccc2)CC1
InChIInChI=1S/C20H17N5OS/c26-19(25-20(8-9-20)13-4-2-1-3-5-13)22-14-6-7-15-16(10-14)24-18(23-15)17-11-27-12-21-17/h1-7,10-12H,8-9H2,(H,23,24)(H2,22,25,26)
InChIKeySASPFCWLZHJKBE-UHFFFAOYSA-N
XLogP4.50
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea?
The IUPAC name of 1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea (CID 10429544) is 1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea.
What is the SMILES notation for 1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea?
The canonical SMILES for 1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea is O=C(Nc1ccc2nc(-c3cscn3)[nH]c2c1)NC1(c2ccccc2)CC1.
What is the InChIKey of 1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea?
The InChIKey is SASPFCWLZHJKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c26-19(25-20(8-9-20)13-4-2-1-3-5-13)22-14-6-7-15-16(10-14)24-18(23-15)17-11-27-12-21-17/h1-7,10-12H,8-9H2,(H,23,24)(H2,22,25,26).
What are the key properties of 1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea?
1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea has a molecular weight of 375.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]urea is sourced from PubChem (CID 10429544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).