(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine

C11H15N3 — CID 95404460

IUPAC(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
SMILESC[C@@H](N)Cc1ccc2c(c1)ncn2C
InChIInChI=1S/C11H15N3/c1-8(12)5-9-3-4-11-10(6-9)13-7-14(11)2/h3-4,6-8H,5,12H2,1-2H3/t8-/m1/s1
InChIKeyHYBYIXQXXOANPF-MRVPVSSYSA-N
MW189.26 g/mol
LogP1.46
Rot. Bonds2

About (2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine

(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine (PubChem CID 95404460) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
PubChem CID95404460
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
SMILESC[C@@H](N)Cc1ccc2c(c1)ncn2C
InChIInChI=1S/C11H15N3/c1-8(12)5-9-3-4-11-10(6-9)13-7-14(11)2/h3-4,6-8H,5,12H2,1-2H3/t8-/m1/s1
InChIKeyHYBYIXQXXOANPF-MRVPVSSYSA-N
XLogP1.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65997
5,6-Dimethylbenzimidazole
CID 675
5-Methylbenzimidazole
CID 11979
Mifentidine
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Tecastemizole
CID 123618
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
Bms 345541
CID 9926054
2-Amino-1-methylbenzimidazole
CID 74187
5,6-Dimethylbenzimidazol-2-ylamine
CID 93125

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine?
The IUPAC name of (2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine (CID 95404460) is (2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine is C[C@@H](N)Cc1ccc2c(c1)ncn2C.
What is the InChIKey of (2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine?
The InChIKey is HYBYIXQXXOANPF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8(12)5-9-3-4-11-10(6-9)13-7-14(11)2/h3-4,6-8H,5,12H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine?
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine has a molecular weight of 189.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine is sourced from PubChem (CID 95404460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).