3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine

C14H21N3 — CID 82333928

IUPAC3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCC(C)c1ccc2c(c1)nc(CCCN)n2C
InChIInChI=1S/C14H21N3/c1-10(2)11-6-7-13-12(9-11)16-14(17(13)3)5-4-8-15/h6-7,9-10H,4-5,8,15H2,1-3H3
InChIKeyPYAJWNNXHHLARG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.59
Rot. Bonds4

About 3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine

3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine (PubChem CID 82333928) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
PubChem CID82333928
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCC(C)c1ccc2c(c1)nc(CCCN)n2C
InChIInChI=1S/C14H21N3/c1-10(2)11-6-7-13-12(9-11)16-14(17(13)3)5-4-8-15/h6-7,9-10H,4-5,8,15H2,1-3H3
InChIKeyPYAJWNNXHHLARG-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333924
N-methyl-2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82334064
N-[2-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82334086
3-(3-aminopropyl)-1-methyl-6-propan-2-ylquinolin-2-one
CID 84637230
3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919824
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
2-butyl-1-methylbenzimidazol-5-amine
CID 58382812
3-(1-pentyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334105
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837982
2-[2-(aminomethyl)-5-propan-2-ylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333974
2-(difluoromethyl)-1-methyl-5-propan-2-ylbenzimidazole
CID 176703273
2-tert-butyl-1-methyl-5-propan-2-ylbenzimidazole
CID 83450237

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine (CID 82333928) is 3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine is CC(C)c1ccc2c(c1)nc(CCCN)n2C.
What is the InChIKey of 3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is PYAJWNNXHHLARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)11-6-7-13-12(9-11)16-14(17(13)3)5-4-8-15/h6-7,9-10H,4-5,8,15H2,1-3H3.
What are the key properties of 3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 82333928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).