1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea

C23H18N4OS2 — CID 44525388

IUPAC1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea
SMILESCc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)Nc5ccsc5)c4)s3)nc12
InChIInChI=1S/C23H18N4OS2/c1-14-4-2-7-18-21(14)27-22(26-18)20-9-8-19(30-20)15-5-3-6-16(12-15)24-23(28)25-17-10-11-29-13-17/h2-13H,1H3,(H,26,27)(H2,24,25,28)
InChIKeyVGEVKDOUPOBCKX-UHFFFAOYSA-N
MW430.56 g/mol
LogP6.97
Rot. Bonds4

About 1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea

1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea (PubChem CID 44525388) has the molecular formula C23H18N4OS2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea
PubChem CID44525388
Molecular FormulaC23H18N4OS2
Molecular Weight430.56 g/mol
Exact Mass430.09
IUPAC Name1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea
SMILESCc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)Nc5ccsc5)c4)s3)nc12
InChIInChI=1S/C23H18N4OS2/c1-14-4-2-7-18-21(14)27-22(26-18)20-9-8-19(30-20)15-5-3-6-16(12-15)24-23(28)25-17-10-11-29-13-17/h2-13H,1H3,(H,26,27)(H2,24,25,28)
InChIKeyVGEVKDOUPOBCKX-UHFFFAOYSA-N
XLogP6.97
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 56.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44530779
1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidine-4-carboxamide
CID 44524468
1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
CID 44525400
N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-1H-imidazole-5-carboxamide
CID 44530727
N-[3-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CID 44530882
2,6-dimethyl-4-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]morpholine;2,2,2-trifluoroacetic acid
CID 44526294
1-[3-[[4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 44524598
1-[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid
CID 44526298
1-[[4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperidin-3-ol;2,2,2-trifluoroacetic acid
CID 44526284
N-[4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44530774
prop-2-enyl 3-[[[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methylamino]methyl]pyrrolidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 44525134
1,3-bis[3-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]urea
CID 177436107

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea?
The IUPAC name of 1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea (CID 44525388) is 1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea.
What is the SMILES notation for 1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea?
The canonical SMILES for 1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea is Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)Nc5ccsc5)c4)s3)nc12.
What is the InChIKey of 1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea?
The InChIKey is VGEVKDOUPOBCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS2/c1-14-4-2-7-18-21(14)27-22(26-18)20-9-8-19(30-20)15-5-3-6-16(12-15)24-23(28)25-17-10-11-29-13-17/h2-13H,1H3,(H,26,27)(H2,24,25,28).
What are the key properties of 1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea?
1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea has a molecular weight of 430.56 g/mol, XLogP of 6.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-3-thiophen-3-ylurea is sourced from PubChem (CID 44525388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).