3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine

C15H23N3 — CID 43152020

IUPAC3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C15H23N3/c1-15(2,3)18-13-9-6-5-8-12(13)17-14(18)10-7-11-16-4/h5-6,8-9,16H,7,10-11H2,1-4H3
InChIKeyUUVHLZSYXOJIQL-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.94
Rot. Bonds4

About 3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine

3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine (PubChem CID 43152020) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine
PubChem CID43152020
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C15H23N3/c1-15(2,3)18-13-9-6-5-8-12(13)17-14(18)10-7-11-16-4/h5-6,8-9,16H,7,10-11H2,1-4H3
InChIKeyUUVHLZSYXOJIQL-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 43152019
5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid
CID 43446748
3-(1-tert-butylbenzimidazol-2-yl)propanoic acid
CID 43142589
N-methyl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750802
4-[(1-tert-butylbenzimidazol-2-yl)methyl]aniline
CID 43142702
N-[(1-tert-butylbenzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 43655437
1-(1-tert-butylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62828153
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
3-(1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
CID 117253307
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine (CID 43152020) is 3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine is CNCCCc1nc2ccccc2n1C(C)(C)C.
What is the InChIKey of 3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine?
The InChIKey is UUVHLZSYXOJIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(2,3)18-13-9-6-5-8-12(13)17-14(18)10-7-11-16-4/h5-6,8-9,16H,7,10-11H2,1-4H3.
What are the key properties of 3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine?
3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylbenzimidazol-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 43152020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).