4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

C23H27ClN4O2 — CID 17009109

IUPAC4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCC(C)N(C(=O)Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21)C(C)C
InChIInChI=1S/C23H27ClN4O2/c1-15(2)28(16(3)4)22(29)14-27-20-8-6-5-7-19(20)26-21(27)13-25-23(30)17-9-11-18(24)12-10-17/h5-12,15-16H,13-14H2,1-4H3,(H,25,30)
InChIKeyCLZHMBJCPSWFSH-UHFFFAOYSA-N
MW426.95 g/mol
LogP4.27
Rot. Bonds7

About 4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17009109) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17009109
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCC(C)N(C(=O)Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21)C(C)C
InChIInChI=1S/C23H27ClN4O2/c1-15(2)28(16(3)4)22(29)14-27-20-8-6-5-7-19(20)26-21(27)13-25-23(30)17-9-11-18(24)12-10-17/h5-12,15-16H,13-14H2,1-4H3,(H,25,30)
InChIKeyCLZHMBJCPSWFSH-UHFFFAOYSA-N
XLogP4.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide 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

4-chloro-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029540
propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17009130
N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007857
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007252
N-[[1-[2-(butan-2-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029539
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
N-[[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029321
N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]cyclopropanecarboxamide
CID 16969907
N-[[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029537
4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029542
N-[[1-[2-(4-bromoanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029564
2-(2-ethylbenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 16996472

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (CID 17009109) is 4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is CC(C)N(C(=O)Cn1c(CNC(=O)c2ccc(Cl)cc2)nc2ccccc21)C(C)C.
What is the InChIKey of 4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is CLZHMBJCPSWFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-15(2)28(16(3)4)22(29)14-27-20-8-6-5-7-19(20)26-21(27)13-25-23(30)17-9-11-18(24)12-10-17/h5-12,15-16H,13-14H2,1-4H3,(H,25,30).
What are the key properties of 4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 426.95 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17009109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).