3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide

C23H26ClN5O — CID 92625845

IUPAC3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
SMILESCC(C)n1c([C@H](C)NC(=O)CCc2nc3cc(Cl)ccc3n2C)nc2ccccc21
InChIInChI=1S/C23H26ClN5O/c1-14(2)29-20-8-6-5-7-17(20)27-23(29)15(3)25-22(30)12-11-21-26-18-13-16(24)9-10-19(18)28(21)4/h5-10,13-15H,11-12H2,1-4H3,(H,25,30)/t15-/m0/s1
InChIKeyCCOGEPBKBPTHMB-HNNXBMFYSA-N
MW423.95 g/mol
LogP4.97
Rot. Bonds6

About 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide

3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide (PubChem CID 92625845) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
PubChem CID92625845
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC Name3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
SMILESCC(C)n1c([C@H](C)NC(=O)CCc2nc3cc(Cl)ccc3n2C)nc2ccccc21
InChIInChI=1S/C23H26ClN5O/c1-14(2)29-20-8-6-5-7-17(20)27-23(29)15(3)25-22(30)12-11-21-26-18-13-16(24)9-10-19(18)28(21)4/h5-10,13-15H,11-12H2,1-4H3,(H,25,30)/t15-/m0/s1
InChIKeyCCOGEPBKBPTHMB-HNNXBMFYSA-N
XLogP4.97
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide 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

N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 4592510
N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 751172
3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
CID 46974251
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125446347
N-[1-(4-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 42999113
N-[1-(3-chlorophenyl)ethyl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 42998546
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 124571675
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
CID 166226192
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
5-(4-chlorophenyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 46951708
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 26202172
3,5-dichloro-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 99809255

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide (CID 92625845) is 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide is CC(C)n1c([C@H](C)NC(=O)CCc2nc3cc(Cl)ccc3n2C)nc2ccccc21.
What is the InChIKey of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide?
The InChIKey is CCOGEPBKBPTHMB-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c1-14(2)29-20-8-6-5-7-17(20)27-23(29)15(3)25-22(30)12-11-21-26-18-13-16(24)9-10-19(18)28(21)4/h5-10,13-15H,11-12H2,1-4H3,(H,25,30)/t15-/m0/s1.
What are the key properties of 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide?
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide has a molecular weight of 423.95 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 92625845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).