N-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide

C30H27N5OS — CID 137117821

IUPACN-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1cc(CC)cc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H27N5OS/c1-3-6-27(36)31-22-14-18(4-2)13-21(15-22)19-9-10-25-24(16-19)29(35-34-25)30-32-26-8-5-7-23(28(26)33-30)20-11-12-37-17-20/h5,7-17H,3-4,6H2,1-2H3,(H,31,36)(H,32,33)(H,34,35)
InChIKeyNHHXAONZRKDGKP-UHFFFAOYSA-N
MW505.65 g/mol
LogP7.80
Rot. Bonds7

About N-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide

N-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide (PubChem CID 137117821) has the molecular formula C30H27N5OS and a molecular weight of 505.65 g/mol. Its IUPAC name is N-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide
PubChem CID137117821
Molecular FormulaC30H27N5OS
Molecular Weight505.65 g/mol
Exact Mass505.19
IUPAC NameN-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1cc(CC)cc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C30H27N5OS/c1-3-6-27(36)31-22-14-18(4-2)13-21(15-22)19-9-10-25-24(16-19)29(35-34-25)30-32-26-8-5-7-23(28(26)33-30)20-11-12-37-17-20/h5,7-17H,3-4,6H2,1-2H3,(H,31,36)(H,32,33)(H,34,35)
InChIKeyNHHXAONZRKDGKP-UHFFFAOYSA-N
XLogP7.80
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.65
LogP ≤ 57.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136509495
N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136509597
N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136509595
N-[3-ethyl-5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]butanamide
CID 137059210
N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 136509120
N-[5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 137115257
2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-benzimidazole
CID 136509156
2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-3-yl-1H-benzimidazole
CID 136509590
N-[5-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137134070
N-[5-[4-fluoro-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 136946996
N-[5-[3-[4-(3-methylphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 147712948
N-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 137057343

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide?
The IUPAC name of N-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide (CID 137117821) is N-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide.
What is the SMILES notation for N-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide?
The canonical SMILES for N-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide is CCCC(=O)Nc1cc(CC)cc(-c2ccc3[nH]nc(-c4nc5c(-c6ccsc6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide?
The InChIKey is NHHXAONZRKDGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5OS/c1-3-6-27(36)31-22-14-18(4-2)13-21(15-22)19-9-10-25-24(16-19)29(35-34-25)30-32-26-8-5-7-23(28(26)33-30)20-11-12-37-17-20/h5,7-17H,3-4,6H2,1-2H3,(H,31,36)(H,32,33)(H,34,35).
What are the key properties of N-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide?
N-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide has a molecular weight of 505.65 g/mol, XLogP of 7.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenyl]butanamide is sourced from PubChem (CID 137117821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).