1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea

C24H18N4OS — CID 44525400

IUPAC1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
SMILESO=C(Nc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1)Nc1ccsc1
InChIInChI=1S/C24H18N4OS/c29-24(26-20-12-13-30-15-20)25-19-10-8-16(9-11-19)17-4-3-5-18(14-17)23-27-21-6-1-2-7-22(21)28-23/h1-15H,(H,27,28)(H2,25,26,29)
InChIKeyASKVSJONBMFQBL-UHFFFAOYSA-N
MW410.50 g/mol
LogP6.60
Rot. Bonds4

About 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea

1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea (PubChem CID 44525400) has the molecular formula C24H18N4OS and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
PubChem CID44525400
Molecular FormulaC24H18N4OS
Molecular Weight410.50 g/mol
Exact Mass410.12
IUPAC Name1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
SMILESO=C(Nc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1)Nc1ccsc1
InChIInChI=1S/C24H18N4OS/c29-24(26-20-12-13-30-15-20)25-19-10-8-16(9-11-19)17-4-3-5-18(14-17)23-27-21-6-1-2-7-22(21)28-23/h1-15H,(H,27,28)(H2,25,26,29)
InChIKeyASKVSJONBMFQBL-UHFFFAOYSA-N
XLogP6.60
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.50
LogP ≤ 56.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730
1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea
CID 44525354
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide
CID 1348553
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine
CID 44524235
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate
CID 3680939
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea?
The IUPAC name of 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea (CID 44525400) is 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea.
What is the SMILES notation for 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea?
The canonical SMILES for 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea is O=C(Nc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1)Nc1ccsc1.
What is the InChIKey of 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea?
The InChIKey is ASKVSJONBMFQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4OS/c29-24(26-20-12-13-30-15-20)25-19-10-8-16(9-11-19)17-4-3-5-18(14-17)23-27-21-6-1-2-7-22(21)28-23/h1-15H,(H,27,28)(H2,25,26,29).
What are the key properties of 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea?
1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea has a molecular weight of 410.50 g/mol, XLogP of 6.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea is sourced from PubChem (CID 44525400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).