4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole

C28H27N5S — CID 44524873

IUPAC4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(c6ccncc6)CC5)cc4)s3)nc12
InChIInChI=1S/C28H27N5S/c1-20-3-2-4-24-27(20)31-28(30-24)26-10-9-25(34-26)22-7-5-21(6-8-22)19-32-15-17-33(18-16-32)23-11-13-29-14-12-23/h2-14H,15-19H2,1H3,(H,30,31)
InChIKeyUYXGPTCHAMIDSL-UHFFFAOYSA-N
MW465.63 g/mol
LogP5.98
Rot. Bonds5

About 4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole

4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole (PubChem CID 44524873) has the molecular formula C28H27N5S and a molecular weight of 465.63 g/mol. Its IUPAC name is 4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole
PubChem CID44524873
Molecular FormulaC28H27N5S
Molecular Weight465.63 g/mol
Exact Mass465.20
IUPAC Name4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(c6ccncc6)CC5)cc4)s3)nc12
InChIInChI=1S/C28H27N5S/c1-20-3-2-4-24-27(20)31-28(30-24)26-10-9-25(34-26)22-7-5-21(6-8-22)19-32-15-17-33(18-16-32)23-11-13-29-14-12-23/h2-14H,15-19H2,1H3,(H,30,31)
InChIKeyUYXGPTCHAMIDSL-UHFFFAOYSA-N
XLogP5.98
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.63
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2'-Di-4-pyridinyl-5,5'-bi-1H-benzimidazole
CID 16659285
Apto-253
CID 11960271
2-(5-{4-[Amino(imino)methyl]phenyl}-2-thienyl)-1H-benzimidazole-6-carboximidamide dihydrochloride
CID 449090
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
(8S)-N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11610819
12-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 44546167
1-[3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridyl]piperidin-4-amine
CID 72943279
1-[3-(1H-benzimidazol-2-yl)-5-(3,5-dimethylphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057538
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
6-N-imidazol-1-yl-4-N-(1H-indol-5-yl)-6-N-(3-phenylpropyl)thieno[3,2-d]pyrimidine-4,6-diamine
CID 44316744
N-(4-(6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883180
(S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(aminomethyl)thiophen-3-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53320547

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole?
The IUPAC name of 4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole (CID 44524873) is 4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole is Cc1cccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(c6ccncc6)CC5)cc4)s3)nc12.
What is the InChIKey of 4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole?
The InChIKey is UYXGPTCHAMIDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5S/c1-20-3-2-4-24-27(20)31-28(30-24)26-10-9-25(34-26)22-7-5-21(6-8-22)19-32-15-17-33(18-16-32)23-11-13-29-14-12-23/h2-14H,15-19H2,1H3,(H,30,31).
What are the key properties of 4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole?
4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole has a molecular weight of 465.63 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole is sourced from PubChem (CID 44524873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).