N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide

C15H21N3O3 — CID 139451769

IUPACN-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide
SMILESCCOc1nc2ccc(OC)cc2n1CCNC(=O)CC
InChIInChI=1S/C15H21N3O3/c1-4-14(19)16-8-9-18-13-10-11(20-3)6-7-12(13)17-15(18)21-5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyVQPBJJRBTBYILE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.97
Rot. Bonds7

About N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide

N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide (PubChem CID 139451769) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide
PubChem CID139451769
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide
SMILESCCOc1nc2ccc(OC)cc2n1CCNC(=O)CC
InChIInChI=1S/C15H21N3O3/c1-4-14(19)16-8-9-18-13-10-11(20-3)6-7-12(13)17-15(18)21-5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)
InChIKeyVQPBJJRBTBYILE-UHFFFAOYSA-N
XLogP1.97
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide (CID 139451769) is N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide is CCOc1nc2ccc(OC)cc2n1CCNC(=O)CC.
What is the InChIKey of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide?
The InChIKey is VQPBJJRBTBYILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-14(19)16-8-9-18-13-10-11(20-3)6-7-12(13)17-15(18)21-5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide?
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide has a molecular weight of 291.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 139451769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).