N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide

C17H23N5O2 — CID 52901021

IUPACN-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide
SMILESCN(C)CCNC(=O)Cn1cnc2cc(NC(=O)C3CC3)ccc21
InChIInChI=1S/C17H23N5O2/c1-21(2)8-7-18-16(23)10-22-11-19-14-9-13(5-6-15(14)22)20-17(24)12-3-4-12/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,18,23)(H,20,24)
InChIKeyMTIROUIMQKMJMR-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.06
Rot. Bonds7

About N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide

N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide (PubChem CID 52901021) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide
PubChem CID52901021
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide
SMILESCN(C)CCNC(=O)Cn1cnc2cc(NC(=O)C3CC3)ccc21
InChIInChI=1S/C17H23N5O2/c1-21(2)8-7-18-16(23)10-22-11-19-14-9-13(5-6-15(14)22)20-17(24)12-3-4-12/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,18,23)(H,20,24)
InChIKeyMTIROUIMQKMJMR-UHFFFAOYSA-N
XLogP1.06
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[5-(phenylcarbamoylamino)benzimidazol-1-yl]acetamide
CID 52898750
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508
6-(cyclopentanecarbonylamino)-2-[4-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]piperazin-1-yl]quinoline-4-carboxylic acid
CID 50783577
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-N'-(1-methylpyrazol-3-yl)oxamide
CID 166272190
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 729287
4-N-(3-cyanophenyl)-1-N-[2-(dimethylamino)ethyl]cyclohexane-1,4-dicarboxamide
CID 109147163
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133
N-(1-ethylbenzimidazol-5-yl)butanamide
CID 2973046
N-[1-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91823055
N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopropanecarboxamide
CID 155948618
1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147286
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113010772

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide (CID 52901021) is N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide is CN(C)CCNC(=O)Cn1cnc2cc(NC(=O)C3CC3)ccc21.
What is the InChIKey of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide?
The InChIKey is MTIROUIMQKMJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21(2)8-7-18-16(23)10-22-11-19-14-9-13(5-6-15(14)22)20-17(24)12-3-4-12/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,18,23)(H,20,24).
What are the key properties of N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide?
N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]benzimidazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 52901021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).