(5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine

C8H13N3 — CID 155289082

IUPAC(5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine
SMILESCC1=NC2CC[C@@H](N)C=C2N1
InChIInChI=1S/C8H13N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h4,6-7H,2-3,9H2,1H3,(H,10,11)/t6-,7?/m1/s1
InChIKeyLSAFIMUIGRKQRF-ULUSZKPHSA-N
MW151.21 g/mol
LogP0.38
Rot. Bonds

About (5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine

(5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine (PubChem CID 155289082) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name(5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine
PubChem CID155289082
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine
SMILESCC1=NC2CC[C@@H](N)C=C2N1
InChIInChI=1S/C8H13N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h4,6-7H,2-3,9H2,1H3,(H,10,11)/t6-,7?/m1/s1
InChIKeyLSAFIMUIGRKQRF-ULUSZKPHSA-N
XLogP0.38
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine?
The IUPAC name of (5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine (CID 155289082) is (5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine.
What is the SMILES notation for (5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine?
The canonical SMILES for (5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine is CC1=NC2CC[C@@H](N)C=C2N1.
What is the InChIKey of (5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine?
The InChIKey is LSAFIMUIGRKQRF-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h4,6-7H,2-3,9H2,1H3,(H,10,11)/t6-,7?/m1/s1.
What are the key properties of (5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine?
(5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine has a molecular weight of 151.21 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine is sourced from PubChem (CID 155289082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).