3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

C18H26N4O — CID 51081190

IUPAC3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCCCN1CCNC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H26N4O/c1-14-6-4-5-12-22(14)13-11-19-18(23)10-9-17-20-15-7-2-3-8-16(15)21-17/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,23)(H,20,21)
InChIKeyLQJMEJNCMWOHDN-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.49
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (PubChem CID 51081190) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
PubChem CID51081190
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCCCN1CCNC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H26N4O/c1-14-6-4-5-12-22(14)13-11-19-18(23)10-9-17-20-15-7-2-3-8-16(15)21-17/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,23)(H,20,21)
InChIKeyLQJMEJNCMWOHDN-UHFFFAOYSA-N
XLogP2.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3H-benzimidazole-5-carboxylic acid
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2-[3-(2-methylpiperidin-1-yl)propyl]-3H-benzimidazole-5-carboxylic acid
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CID 71836688
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 77090072
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 94115247
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
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1-[3-(1H-benzimidazol-2-yl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 167883500
3-(1H-benzimidazol-2-yl)-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (CID 51081190) is 3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is CC1CCCCN1CCNC(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is LQJMEJNCMWOHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-6-4-5-12-22(14)13-11-19-18(23)10-9-17-20-15-7-2-3-8-16(15)21-17/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 314.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 51081190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).