3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide

C17H21N5O — CID 119062430

IUPAC3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)NC(C)c1cnc[nH]1
InChIInChI=1S/C17H21N5O/c1-3-16-21-13-6-4-5-7-15(13)22(16)9-8-17(23)20-12(2)14-10-18-11-19-14/h4-7,10-12H,3,8-9H2,1-2H3,(H,18,19)(H,20,23)
InChIKeyXHYXMNQHLJALSO-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.59
Rot. Bonds6

About 3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide

3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide (PubChem CID 119062430) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide
PubChem CID119062430
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)NC(C)c1cnc[nH]1
InChIInChI=1S/C17H21N5O/c1-3-16-21-13-6-4-5-7-15(13)22(16)9-8-17(23)20-12(2)14-10-18-11-19-14/h4-7,10-12H,3,8-9H2,1-2H3,(H,18,19)(H,20,23)
InChIKeyXHYXMNQHLJALSO-UHFFFAOYSA-N
XLogP2.59
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(2-ethylbenzimidazol-1-yl)-N-(4-methoxycyclohexyl)propanamide
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N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
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N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide (CID 119062430) is 3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide is CCc1nc2ccccc2n1CCC(=O)NC(C)c1cnc[nH]1.
What is the InChIKey of 3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide?
The InChIKey is XHYXMNQHLJALSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-3-16-21-13-6-4-5-7-15(13)22(16)9-8-17(23)20-12(2)14-10-18-11-19-14/h4-7,10-12H,3,8-9H2,1-2H3,(H,18,19)(H,20,23).
What are the key properties of 3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide?
3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide has a molecular weight of 311.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbenzimidazol-1-yl)-N-[1-(1H-imidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 119062430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).