N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide

C22H27N5O — CID 73051603

IUPACN-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(Nc2nc3ccccc3n2C2CCCC2)cc1
InChIInChI=1S/C22H27N5O/c1-26(2)15-21(28)23-16-11-13-17(14-12-16)24-22-25-19-9-5-6-10-20(19)27(22)18-7-3-4-8-18/h5-6,9-14,18H,3-4,7-8,15H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyUBQVCODITMPPQL-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.40
Rot. Bonds6

About N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide

N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide (PubChem CID 73051603) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide
PubChem CID73051603
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(Nc2nc3ccccc3n2C2CCCC2)cc1
InChIInChI=1S/C22H27N5O/c1-26(2)15-21(28)23-16-11-13-17(14-12-16)24-22-25-19-9-5-6-10-20(19)27(22)18-7-3-4-8-18/h5-6,9-14,18H,3-4,7-8,15H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyUBQVCODITMPPQL-UHFFFAOYSA-N
XLogP4.40
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidophenyl)-N-(1-cyclopentylbenzimidazol-2-yl)acetamide
CID 136527419
N-[1-[4-[(1-cyclohexylbenzimidazol-2-yl)amino]phenyl]ethenyl]hydroxylamine
CID 149197235
N-[2-[(1-cyclohexylbenzimidazol-2-yl)amino]-2-oxoethyl]propanamide
CID 47078417
4-amino-N-(1-cyclohexylbenzimidazol-2-yl)pentanamide;hydrochloride
CID 120560614
N-(1-cyclopentylbenzimidazol-2-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 56794904
cis-(1S,2R)-N-[3-[(1-cyclohexylbenzimidazol-2-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94103495
N-(1-cyclohexylbenzimidazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119732157
N-(1-cyclopentylbenzimidazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 119799593
N-(1-cyclohexylbenzimidazol-2-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78892320
3-amino-N-(1-cyclopentylbenzimidazol-2-yl)-3-phenylpropanamide;hydrochloride
CID 119951926
methyl 4-[[1-[(1S)-3,3-dimethylcyclohexyl]benzimidazol-2-yl]amino]benzoate
CID 137447038
2,2,2-trifluoro-N-[4-[[1-[(1S)-3,3,5-trimethylcyclohexyl]benzimidazol-2-yl]amino]phenyl]acetamide
CID 162596237

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide (CID 73051603) is N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1ccc(Nc2nc3ccccc3n2C2CCCC2)cc1.
What is the InChIKey of N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide?
The InChIKey is UBQVCODITMPPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-26(2)15-21(28)23-16-11-13-17(14-12-16)24-22-25-19-9-5-6-10-20(19)27(22)18-7-3-4-8-18/h5-6,9-14,18H,3-4,7-8,15H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide?
N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide has a molecular weight of 377.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-cyclopentylbenzimidazol-2-yl)amino]phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 73051603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).