2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine

C13H21N3 — CID 102568425

IUPAC2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine
SMILESNCCC1CCCc2c1ncn2CC1CC1
InChIInChI=1S/C13H21N3/c14-7-6-11-2-1-3-12-13(11)15-9-16(12)8-10-4-5-10/h9-11H,1-8,14H2
InChIKeyYRBSJIYCBZJFBO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.06
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine

2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine (PubChem CID 102568425) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine
PubChem CID102568425
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine
SMILESNCCC1CCCc2c1ncn2CC1CC1
InChIInChI=1S/C13H21N3/c14-7-6-11-2-1-3-12-13(11)15-9-16(12)8-10-4-5-10/h9-11H,1-8,14H2
InChIKeyYRBSJIYCBZJFBO-UHFFFAOYSA-N
XLogP2.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine (CID 102568425) is 2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine is NCCC1CCCc2c1ncn2CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine?
The InChIKey is YRBSJIYCBZJFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c14-7-6-11-2-1-3-12-13(11)15-9-16(12)8-10-4-5-10/h9-11H,1-8,14H2.
What are the key properties of 2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine?
2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-4,5,6,7-tetrahydrobenzimidazol-4-yl]ethanamine is sourced from PubChem (CID 102568425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).