1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea

C24H17ClN4OS — CID 44525354

IUPAC1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2csc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C24H17ClN4OS/c25-17-7-11-19(12-8-17)27-24(30)26-18-9-5-15(6-10-18)16-13-22(31-14-16)23-28-20-3-1-2-4-21(20)29-23/h1-14H,(H,28,29)(H2,26,27,30)
InChIKeySTJFMUWBKQADGC-UHFFFAOYSA-N
MW444.95 g/mol
LogP7.26
Rot. Bonds4

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

1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea (PubChem CID 44525354) has the molecular formula C24H17ClN4OS and a molecular weight of 444.95 g/mol. Its IUPAC name is 1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea
PubChem CID44525354
Molecular FormulaC24H17ClN4OS
Molecular Weight444.95 g/mol
Exact Mass444.08
IUPAC Name1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2csc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C24H17ClN4OS/c25-17-7-11-19(12-8-17)27-24(30)26-18-9-5-15(6-10-18)16-13-22(31-14-16)23-28-20-3-1-2-4-21(20)29-23/h1-14H,(H,28,29)(H2,26,27,30)
InChIKeySTJFMUWBKQADGC-UHFFFAOYSA-N
XLogP7.26
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.95
LogP ≤ 57.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-thiophen-3-ylurea
CID 44525400
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 22584796
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
CID 26264638
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide
CID 1348553
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112767961
N-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]-3-methylbenzamide
CID 58191602
1-(1H-benzimidazol-2-yl)-3-(3,5-dichlorophenyl)urea
CID 107653951
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3413795

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea (CID 44525354) is 1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2csc(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of 1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea?
The InChIKey is STJFMUWBKQADGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4OS/c25-17-7-11-19(12-8-17)27-24(30)26-18-9-5-15(6-10-18)16-13-22(31-14-16)23-28-20-3-1-2-4-21(20)29-23/h1-14H,(H,28,29)(H2,26,27,30).
What are the key properties of 1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea?
1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea has a molecular weight of 444.95 g/mol, XLogP of 7.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 44525354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).