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

C16H24N4O — CID 745083

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccccc2n1CCN(CC)CC
InChIInChI=1S/C16H24N4O/c1-4-15(21)18-16-17-13-9-7-8-10-14(13)20(16)12-11-19(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,18,21)
InChIKeyILDRFQKSQUNNNO-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.73
Rot. Bonds7

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

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide (PubChem CID 745083) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide
PubChem CID745083
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccccc2n1CCN(CC)CC
InChIInChI=1S/C16H24N4O/c1-4-15(21)18-16-17-13-9-7-8-10-14(13)20(16)12-11-19(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,18,21)
InChIKeyILDRFQKSQUNNNO-UHFFFAOYSA-N
XLogP2.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide (CID 745083) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide is CCC(=O)Nc1nc2ccccc2n1CCN(CC)CC.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide?
The InChIKey is ILDRFQKSQUNNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-15(21)18-16-17-13-9-7-8-10-14(13)20(16)12-11-19(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,17,18,21).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide has a molecular weight of 288.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]propanamide is sourced from PubChem (CID 745083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).