N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide

C20H24N6O2 — CID 52898750

IUPACN-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide
SMILESCN(C)CCNC(=O)Cn1cnc2cc(NC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C20H24N6O2/c1-25(2)11-10-21-19(27)13-26-14-22-17-12-16(8-9-18(17)26)24-20(28)23-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,27)(H2,23,24,28)
InChIKeyPXRKWTFHNGUQBK-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.36
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide

N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide (PubChem CID 52898750) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide
PubChem CID52898750
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide
SMILESCN(C)CCNC(=O)Cn1cnc2cc(NC(=O)Nc3ccccc3)ccc21
InChIInChI=1S/C20H24N6O2/c1-25(2)11-10-21-19(27)13-26-14-22-17-12-16(8-9-18(17)26)24-20(28)23-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,27)(H2,23,24,28)
InChIKeyPXRKWTFHNGUQBK-UHFFFAOYSA-N
XLogP2.36
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide
CID 52901021
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 729287
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-phenylpropyl)acetamide
CID 32514079
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide
CID 166272190
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 17028500
2-(benzimidazol-1-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362366
2-(benzimidazol-1-yl)-N-(3-phenylphenyl)acetamide;hydrochloride
CID 66899593
2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 121074724

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide (CID 52898750) is N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide is CN(C)CCNC(=O)Cn1cnc2cc(NC(=O)Nc3ccccc3)ccc21.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide?
The InChIKey is PXRKWTFHNGUQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-25(2)11-10-21-19(27)13-26-14-22-17-12-16(8-9-18(17)26)24-20(28)23-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,21,27)(H2,23,24,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 52898750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).