2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide

C15H21ClN4O — CID 6611163

IUPAC2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
SMILESCCN(CC)CCn1c(NC(=O)CCl)nc2ccccc21
InChIInChI=1S/C15H21ClN4O/c1-3-19(4-2)9-10-20-13-8-6-5-7-12(13)17-15(20)18-14(21)11-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,18,21)
InChIKeyPOSGMAREULSEJS-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.56
Rot. Bonds7

About 2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide

2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide (PubChem CID 6611163) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
PubChem CID6611163
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
SMILESCCN(CC)CCn1c(NC(=O)CCl)nc2ccccc21
InChIInChI=1S/C15H21ClN4O/c1-3-19(4-2)9-10-20-13-8-6-5-7-12(13)17-15(20)18-14(21)11-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,18,21)
InChIKeyPOSGMAREULSEJS-UHFFFAOYSA-N
XLogP2.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 19520547
2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482801
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55652120
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280672
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 40604553
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 46692768
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 52549619
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
CID 30178740
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 55495982
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18289502

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide (CID 6611163) is 2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide is CCN(CC)CCn1c(NC(=O)CCl)nc2ccccc21.
What is the InChIKey of 2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide?
The InChIKey is POSGMAREULSEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-3-19(4-2)9-10-20-13-8-6-5-7-12(13)17-15(20)18-14(21)11-16/h5-8H,3-4,9-11H2,1-2H3,(H,17,18,21).
What are the key properties of 2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide?
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide has a molecular weight of 308.81 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 6611163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).