N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine

C11H19N3 — CID 63927403

IUPACN-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2c([nH]1)CC(C)CC2
InChIInChI=1S/C11H19N3/c1-3-12-7-11-13-9-5-4-8(2)6-10(9)14-11/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyMXNYWGGMEBYQKX-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.64
Rot. Bonds3

About N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine

N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine (PubChem CID 63927403) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine
PubChem CID63927403
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2c([nH]1)CC(C)CC2
InChIInChI=1S/C11H19N3/c1-3-12-7-11-13-9-5-4-8(2)6-10(9)14-11/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyMXNYWGGMEBYQKX-UHFFFAOYSA-N
XLogP1.64
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine (CID 63927403) is N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine is CCNCc1nc2c([nH]1)CC(C)CC2.
What is the InChIKey of N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine?
The InChIKey is MXNYWGGMEBYQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-12-7-11-13-9-5-4-8(2)6-10(9)14-11/h8,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine?
N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 63927403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).