N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide

C23H29N5O2 — CID 52901844

IUPACN-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide
SMILESCC(C)NC(=O)N(C)Cc1nc2cc(NC(=O)CCc3ccccc3)ccc2n1C
InChIInChI=1S/C23H29N5O2/c1-16(2)24-23(30)27(3)15-21-26-19-14-18(11-12-20(19)28(21)4)25-22(29)13-10-17-8-6-5-7-9-17/h5-9,11-12,14,16H,10,13,15H2,1-4H3,(H,24,30)(H,25,29)
InChIKeyUWPWSNWPQGHNIF-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.69
Rot. Bonds7

About N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide

N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide (PubChem CID 52901844) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide
PubChem CID52901844
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide
SMILESCC(C)NC(=O)N(C)Cc1nc2cc(NC(=O)CCc3ccccc3)ccc2n1C
InChIInChI=1S/C23H29N5O2/c1-16(2)24-23(30)27(3)15-21-26-19-14-18(11-12-20(19)28(21)4)25-22(29)13-10-17-8-6-5-7-9-17/h5-9,11-12,14,16H,10,13,15H2,1-4H3,(H,24,30)(H,25,29)
InChIKeyUWPWSNWPQGHNIF-UHFFFAOYSA-N
XLogP3.69
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide
CID 46328935
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-pyridin-4-ylbutanamide
CID 46964209
2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
CID 46328909
N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide
CID 50957001
2-[[(2-bromophenyl)carbamoyl-methylamino]methyl]-1-methyl-N-propan-2-ylbenzimidazole-5-carboxamide
CID 53104311
ethyl 2-[[methyl-[[1-methyl-5-(propan-2-ylcarbamoyl)benzimidazol-2-yl]methyl]carbamoyl]amino]propanoate
CID 53104350
4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]pentanamide
CID 17244491
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(4-ethylphenyl)propanamide
CID 24635105
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
CID 4890018

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide (CID 52901844) is N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide is CC(C)NC(=O)N(C)Cc1nc2cc(NC(=O)CCc3ccccc3)ccc2n1C.
What is the InChIKey of N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide?
The InChIKey is UWPWSNWPQGHNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-16(2)24-23(30)27(3)15-21-26-19-14-18(11-12-20(19)28(21)4)25-22(29)13-10-17-8-6-5-7-9-17/h5-9,11-12,14,16H,10,13,15H2,1-4H3,(H,24,30)(H,25,29).
What are the key properties of N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide?
N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide has a molecular weight of 407.52 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide is sourced from PubChem (CID 52901844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).