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

C16H21N3O3 — CID 139451780

IUPACN-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide
SMILESCCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CC1
InChIInChI=1S/C16H21N3O3/c1-3-22-16-18-13-7-6-12(21-2)10-14(13)19(16)9-8-17-15(20)11-4-5-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,20)
InChIKeyBIZPRFMEEMOSNC-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.97
Rot. Bonds7

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

N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide (PubChem CID 139451780) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide
PubChem CID139451780
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide
SMILESCCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CC1
InChIInChI=1S/C16H21N3O3/c1-3-22-16-18-13-7-6-12(21-2)10-14(13)19(16)9-8-17-15(20)11-4-5-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,20)
InChIKeyBIZPRFMEEMOSNC-UHFFFAOYSA-N
XLogP1.97
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
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]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide (CID 139451780) is N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide is CCOc1nc2ccc(OC)cc2n1CCNC(=O)C1CC1.
What is the InChIKey of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is BIZPRFMEEMOSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-22-16-18-13-7-6-12(21-2)10-14(13)19(16)9-8-17-15(20)11-4-5-11/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide?
N-[2-(2-ethoxy-6-methoxybenzimidazol-1-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 303.36 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]cyclopropanecarboxamide is sourced from PubChem (CID 139451780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).