1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine

C17H21N3 — CID 116882176

IUPAC1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2ncc(-c3ccc4c(c3)CCC4)[nH]2)CC1
InChIInChI=1S/C17H21N3/c1-18-11-17(7-8-17)16-19-10-15(20-16)14-6-5-12-3-2-4-13(12)9-14/h5-6,9-10,18H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyVUJMJYSYJFUBIC-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.82
Rot. Bonds4

About 1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine

1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine (PubChem CID 116882176) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
PubChem CID116882176
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
SMILESCNCC1(c2ncc(-c3ccc4c(c3)CCC4)[nH]2)CC1
InChIInChI=1S/C17H21N3/c1-18-11-17(7-8-17)16-19-10-15(20-16)14-6-5-12-3-2-4-13(12)9-14/h5-6,9-10,18H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyVUJMJYSYJFUBIC-UHFFFAOYSA-N
XLogP2.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine (CID 116882176) is 1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine is CNCC1(c2ncc(-c3ccc4c(c3)CCC4)[nH]2)CC1.
What is the InChIKey of 1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine?
The InChIKey is VUJMJYSYJFUBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-18-11-17(7-8-17)16-19-10-15(20-16)14-6-5-12-3-2-4-13(12)9-14/h5-6,9-10,18H,2-4,7-8,11H2,1H3,(H,19,20).
What are the key properties of 1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine?
1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine has a molecular weight of 267.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116882176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).