N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide

C23H26N4O2 — CID 17029444

IUPACN-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3n2CC(=O)NC2CCCC2)c1
InChIInChI=1S/C23H26N4O2/c1-16-7-6-8-17(13-16)23(29)24-14-21-26-19-11-4-5-12-20(19)27(21)15-22(28)25-18-9-2-3-10-18/h4-8,11-13,18H,2-3,9-10,14-15H2,1H3,(H,24,29)(H,25,28)
InChIKeyUQNUNBSFVJBVHU-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.33
Rot. Bonds6

About N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide

N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide (PubChem CID 17029444) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
PubChem CID17029444
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2nc3ccccc3n2CC(=O)NC2CCCC2)c1
InChIInChI=1S/C23H26N4O2/c1-16-7-6-8-17(13-16)23(29)24-14-21-26-19-11-4-5-12-20(19)27(21)15-22(28)25-18-9-2-3-10-18/h4-8,11-13,18H,2-3,9-10,14-15H2,1H3,(H,24,29)(H,25,28)
InChIKeyUQNUNBSFVJBVHU-UHFFFAOYSA-N
XLogP3.33
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029442
4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029542
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007291
N-[[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029473
3-methyl-N-[[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007392
N-cyclopentyl-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032820
N-[[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007398
N-[[1-[2-(3-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029460
N-[[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029468
N-[[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007335
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029056

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide (CID 17029444) is N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCc2nc3ccccc3n2CC(=O)NC2CCCC2)c1.
What is the InChIKey of N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide?
The InChIKey is UQNUNBSFVJBVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-7-6-8-17(13-16)23(29)24-14-21-26-19-11-4-5-12-20(19)27(21)15-22(28)25-18-9-2-3-10-18/h4-8,11-13,18H,2-3,9-10,14-15H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide?
N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide has a molecular weight of 390.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide is sourced from PubChem (CID 17029444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).