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

C16H14BrN5OS2 — CID 91259330

IUPAC1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
SMILESO=C(NCc1ccsc1Br)Nc1ccc2c(c1)NC(c1cscn1)N2
InChIInChI=1S/C16H14BrN5OS2/c17-14-9(3-4-25-14)6-18-16(23)20-10-1-2-11-12(5-10)22-15(21-11)13-7-24-8-19-13/h1-5,7-8,15,21-22H,6H2,(H2,18,20,23)
InChIKeyDYDWIOHSZLFGRD-UHFFFAOYSA-N
MW436.36 g/mol
LogP4.82
Rot. Bonds4

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

1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea (PubChem CID 91259330) has the molecular formula C16H14BrN5OS2 and a molecular weight of 436.36 g/mol. Its IUPAC name is 1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea.

Molecular Properties

Compound Name1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
PubChem CID91259330
Molecular FormulaC16H14BrN5OS2
Molecular Weight436.36 g/mol
Exact Mass434.98
IUPAC Name1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
SMILESO=C(NCc1ccsc1Br)Nc1ccc2c(c1)NC(c1cscn1)N2
InChIInChI=1S/C16H14BrN5OS2/c17-14-9(3-4-25-14)6-18-16(23)20-10-1-2-11-12(5-10)22-15(21-11)13-7-24-8-19-13/h1-5,7-8,15,21-22H,6H2,(H2,18,20,23)
InChIKeyDYDWIOHSZLFGRD-UHFFFAOYSA-N
XLogP4.82
TPSA78.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-phenylcyclopropyl)-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
CID 91505728
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1-methyl-1-[(1S)-1-phenylethyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea
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1-methyl-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]-1-[5-(trifluoromethyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]urea
CID 91045483
1-[(2-bromothiophen-3-yl)methyl]-3-propan-2-ylurea
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CID 122013522
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1-(3-bromo-4-methylphenyl)-3-(thiophen-3-ylmethyl)urea
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1-(3,4-dichlorophenyl)-3-(1,3-thiazol-2-ylmethyl)urea
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1-(3-bromo-4-fluorophenyl)-3-[2-(1,3-thiazol-4-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea?
The IUPAC name of 1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea (CID 91259330) is 1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea.
What is the SMILES notation for 1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea?
The canonical SMILES for 1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea is O=C(NCc1ccsc1Br)Nc1ccc2c(c1)NC(c1cscn1)N2.
What is the InChIKey of 1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea?
The InChIKey is DYDWIOHSZLFGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5OS2/c17-14-9(3-4-25-14)6-18-16(23)20-10-1-2-11-12(5-10)22-15(21-11)13-7-24-8-19-13/h1-5,7-8,15,21-22H,6H2,(H2,18,20,23).
What are the key properties of 1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea?
1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea has a molecular weight of 436.36 g/mol, XLogP of 4.82, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromothiophen-3-yl)methyl]-3-[2-(1,3-thiazol-4-yl)-2,3-dihydro-1H-benzimidazol-5-yl]urea is sourced from PubChem (CID 91259330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).