3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide

C25H30N6O2 — CID 98134720

IUPAC3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide
SMILESCc1cc(-c2cn(C)nc2C2CCC(CNC(=O)CCc3nc4ccccc4[nH]3)CC2)on1
InChIInChI=1S/C25H30N6O2/c1-16-13-22(33-30-16)19-15-31(2)29-25(19)18-9-7-17(8-10-18)14-26-24(32)12-11-23-27-20-5-3-4-6-21(20)28-23/h3-6,13,15,17-18H,7-12,14H2,1-2H3,(H,26,32)(H,27,28)
InChIKeyMTAWIVXENJNINV-UHFFFAOYSA-N
MW446.56 g/mol
LogP4.28
Rot. Bonds7

About 3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide (PubChem CID 98134720) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide
PubChem CID98134720
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide
SMILESCc1cc(-c2cn(C)nc2C2CCC(CNC(=O)CCc3nc4ccccc4[nH]3)CC2)on1
InChIInChI=1S/C25H30N6O2/c1-16-13-22(33-30-16)19-15-31(2)29-25(19)18-9-7-17(8-10-18)14-26-24(32)12-11-23-27-20-5-3-4-6-21(20)28-23/h3-6,13,15,17-18H,7-12,14H2,1-2H3,(H,26,32)(H,27,28)
InChIKeyMTAWIVXENJNINV-UHFFFAOYSA-N
XLogP4.28
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide (CID 98134720) is 3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide is Cc1cc(-c2cn(C)nc2C2CCC(CNC(=O)CCc3nc4ccccc4[nH]3)CC2)on1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide?
The InChIKey is MTAWIVXENJNINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-16-13-22(33-30-16)19-15-31(2)29-25(19)18-9-7-17(8-10-18)14-26-24(32)12-11-23-27-20-5-3-4-6-21(20)28-23/h3-6,13,15,17-18H,7-12,14H2,1-2H3,(H,26,32)(H,27,28).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide has a molecular weight of 446.56 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[[4-[1-methyl-4-(3-methyl-1,2-oxazol-5-yl)pyrazol-3-yl]cyclohexyl]methyl]propanamide is sourced from PubChem (CID 98134720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).