N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide

C19H28N4O — CID 4888868

IUPACN-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)nc(CCN1CCC(C)CC1)n2C
InChIInChI=1S/C19H28N4O/c1-4-19(24)20-15-5-6-17-16(13-15)21-18(22(17)3)9-12-23-10-7-14(2)8-11-23/h5-6,13-14H,4,7-12H2,1-3H3,(H,20,24)
InChIKeyOVWBEZJUVBWIHJ-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.20
Rot. Bonds5

About N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide

N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide (PubChem CID 4888868) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide
PubChem CID4888868
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)nc(CCN1CCC(C)CC1)n2C
InChIInChI=1S/C19H28N4O/c1-4-19(24)20-15-5-6-17-16(13-15)21-18(22(17)3)9-12-23-10-7-14(2)8-11-23/h5-6,13-14H,4,7-12H2,1-3H3,(H,20,24)
InChIKeyOVWBEZJUVBWIHJ-UHFFFAOYSA-N
XLogP3.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
The IUPAC name of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide (CID 4888868) is N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide.
What is the SMILES notation for N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
The canonical SMILES for N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide is CCC(=O)Nc1ccc2c(c1)nc(CCN1CCC(C)CC1)n2C.
What is the InChIKey of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
The InChIKey is OVWBEZJUVBWIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-19(24)20-15-5-6-17-16(13-15)21-18(22(17)3)9-12-23-10-7-14(2)8-11-23/h5-6,13-14H,4,7-12H2,1-3H3,(H,20,24).
What are the key properties of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide has a molecular weight of 328.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]propanamide is sourced from PubChem (CID 4888868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).