1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine

C16H23N3 — CID 62563334

IUPAC1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine
SMILESCc1cc2ncn(CCNC(C)C3CC3)c2cc1C
InChIInChI=1S/C16H23N3/c1-11-8-15-16(9-12(11)2)19(10-18-15)7-6-17-13(3)14-4-5-14/h8-10,13-14,17H,4-7H2,1-3H3
InChIKeyPXUUNVKLSVMSEB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.04
Rot. Bonds5

About 1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine

1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine (PubChem CID 62563334) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine
PubChem CID62563334
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine
SMILESCc1cc2ncn(CCNC(C)C3CC3)c2cc1C
InChIInChI=1S/C16H23N3/c1-11-8-15-16(9-12(11)2)19(10-18-15)7-6-17-13(3)14-4-5-14/h8-10,13-14,17H,4-7H2,1-3H3
InChIKeyPXUUNVKLSVMSEB-UHFFFAOYSA-N
XLogP3.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine (CID 62563334) is 1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine is Cc1cc2ncn(CCNC(C)C3CC3)c2cc1C.
What is the InChIKey of 1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine?
The InChIKey is PXUUNVKLSVMSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-8-15-16(9-12(11)2)19(10-18-15)7-6-17-13(3)14-4-5-14/h8-10,13-14,17H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine?
1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(5,6-dimethylbenzimidazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 62563334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).