(4R)-4H-benzimidazol-4-amine

C7H7N3 — CID 126421734

IUPAC(4R)-4H-benzimidazol-4-amine
SMILESN[C@@H]1C=CC=C2N=CN=C21
InChIInChI=1S/C7H7N3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-5H,8H2/t5-/m1/s1
InChIKeyBALUDJMPZCVBRH-RXMQYKEDSA-N
MW133.15 g/mol
LogP0.25
Rot. Bonds

About (4R)-4H-benzimidazol-4-amine

(4R)-4H-benzimidazol-4-amine (PubChem CID 126421734) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (4R)-4H-benzimidazol-4-amine.

Molecular Properties

Compound Name(4R)-4H-benzimidazol-4-amine
PubChem CID126421734
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name(4R)-4H-benzimidazol-4-amine
SMILESN[C@@H]1C=CC=C2N=CN=C21
InChIInChI=1S/C7H7N3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-5H,8H2/t5-/m1/s1
InChIKeyBALUDJMPZCVBRH-RXMQYKEDSA-N
XLogP0.25
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-methyl-5H-isoquinolin-1-one
CID 75965953
5-ethenyl-6-sulfonylcyclohexa-2,4-dien-1-amine
CID 88626452
2-N-tert-butyl-4-methylcyclohepta-2,4,6-triene-1,2-diamine
CID 134239626
3a,4-dihydro-1H-indol-4-amine
CID 130281332
cyclohexa-3,5-diene-1,3-diamine
CID 23462778
5-prop-1-ynylcyclohexa-2,4-dien-1-amine
CID 165102050
(3-methyl-3H-azepin-7-yl)methanamine
CID 144539781
6-sulfonylcyclohexa-2,4-dien-1-amine
CID 87974308
3-amino-3H-oxepin-2-one
CID 70680429
3-amino-1-hydroxy-3H-azepin-2-one
CID 70235739
2-deuteriopurine-2,6-diamine
CID 175978907
6-diphenylsilylidenecyclohexa-2,4-dien-1-amine
CID 161182347

Frequently Asked Questions

What is the IUPAC name of (4R)-4H-benzimidazol-4-amine?
The IUPAC name of (4R)-4H-benzimidazol-4-amine (CID 126421734) is (4R)-4H-benzimidazol-4-amine.
What is the SMILES notation for (4R)-4H-benzimidazol-4-amine?
The canonical SMILES for (4R)-4H-benzimidazol-4-amine is N[C@@H]1C=CC=C2N=CN=C21.
What is the InChIKey of (4R)-4H-benzimidazol-4-amine?
The InChIKey is BALUDJMPZCVBRH-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H7N3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-5H,8H2/t5-/m1/s1.
What are the key properties of (4R)-4H-benzimidazol-4-amine?
(4R)-4H-benzimidazol-4-amine has a molecular weight of 133.15 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4H-benzimidazol-4-amine is sourced from PubChem (CID 126421734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).