(5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine

C8H13N3 — CID 96635921

IUPAC(5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
SMILESCc1nc2c([nH]1)C[C@H](N)CC2
InChIInChI=1S/C8H13N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyJGCNHPQMPGHGHT-ZCFIWIBFSA-N
MW151.21 g/mol
LogP0.53
Rot. Bonds

About (5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine

(5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine (PubChem CID 96635921) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name(5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
PubChem CID96635921
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
SMILESCc1nc2c([nH]1)C[C@H](N)CC2
InChIInChI=1S/C8H13N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyJGCNHPQMPGHGHT-ZCFIWIBFSA-N
XLogP0.53
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-Tetrahydro-1H-benzimidazole
CID 304263
2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 13248792
4,5,6,7-tetrahydro-1H-1,3-benzodiazol-5-amine
CID 155924
4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-amine hydrochloride
CID 69238739
2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole
CID 44582978
2-[(E)-heptadec-8-enyl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 44582979
5-Amino-4,5,6,7-tetrahydrobenzimidazole dihydrochloride
CID 68648173
2-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 71695304
2-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride
CID 13170819
2-bromo-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 33778496
2-(pyrrolidin-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride
CID 71692500
2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-5-amine dihydrochloride
CID 86775639

Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
The IUPAC name of (5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine (CID 96635921) is (5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine.
What is the SMILES notation for (5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
The canonical SMILES for (5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine is Cc1nc2c([nH]1)C[C@H](N)CC2.
What is the InChIKey of (5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
The InChIKey is JGCNHPQMPGHGHT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-10-7-3-2-6(9)4-8(7)11-5/h6H,2-4,9H2,1H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
(5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine has a molecular weight of 151.21 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine is sourced from PubChem (CID 96635921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).