N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide

C24H23N7O3S — CID 122447507

IUPACN-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)Nc2cncc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)c2)CC1
InChIInChI=1S/C24H23N7O3S/c1-30-8-10-31(11-9-30)35(32,33)29-18-12-17(14-25-15-18)16-6-7-21-22(13-16)34-24(28-21)23-26-19-4-2-3-5-20(19)27-23/h2-7,12-15,29H,8-11H2,1H3,(H,26,27)
InChIKeyFFBSNVTXZRZAPY-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.34
Rot. Bonds5

About N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide

N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide (PubChem CID 122447507) has the molecular formula C24H23N7O3S and a molecular weight of 489.56 g/mol. Its IUPAC name is N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide
PubChem CID122447507
Molecular FormulaC24H23N7O3S
Molecular Weight489.56 g/mol
Exact Mass489.16
IUPAC NameN-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)Nc2cncc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)c2)CC1
InChIInChI=1S/C24H23N7O3S/c1-30-8-10-31(11-9-30)35(32,33)29-18-12-17(14-25-15-18)16-6-7-21-22(13-16)34-24(28-21)23-26-19-4-2-3-5-20(19)27-23/h2-7,12-15,29H,8-11H2,1H3,(H,26,27)
InChIKeyFFBSNVTXZRZAPY-UHFFFAOYSA-N
XLogP3.34
TPSA120.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Amg 579
CID 59351313
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
4-(4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 90285039
4-((4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxy-N-methylbenzamide
CID 117881270
methyl N-[(1S)-1-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-6-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53482405
6-(Oxazol-5-yl)-3-(4-piperidin-1-ylmethyl-phenyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole
CID 58266579
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59351198
(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(1H-imidazol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647565
methyl N-[(1S)-1-[(2S,4S)-2-[6-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1,3-benzoxazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53491528

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide?
The IUPAC name of N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide (CID 122447507) is N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide.
What is the SMILES notation for N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide?
The canonical SMILES for N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide is CN1CCN(S(=O)(=O)Nc2cncc(-c3ccc4nc(-c5nc6ccccc6[nH]5)oc4c3)c2)CC1.
What is the InChIKey of N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide?
The InChIKey is FFBSNVTXZRZAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3S/c1-30-8-10-31(11-9-30)35(32,33)29-18-12-17(14-25-15-18)16-6-7-21-22(13-16)34-24(28-21)23-26-19-4-2-3-5-20(19)27-23/h2-7,12-15,29H,8-11H2,1H3,(H,26,27).
What are the key properties of N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide?
N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide has a molecular weight of 489.56 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1H-benzimidazol-2-yl)-1,3-benzoxazol-6-yl]-3-pyridinyl]-4-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 122447507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).