3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine

C12H19N3 — CID 143325148

IUPAC3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine
SMILESCNCCC(C)N1CNc2ccccc21
InChIInChI=1S/C12H19N3/c1-10(7-8-13-2)15-9-14-11-5-3-4-6-12(11)15/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyDRGIGTUNKRKADT-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.87
Rot. Bonds4

About 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine

3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine (PubChem CID 143325148) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine
PubChem CID143325148
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine
SMILESCNCCC(C)N1CNc2ccccc21
InChIInChI=1S/C12H19N3/c1-10(7-8-13-2)15-9-14-11-5-3-4-6-12(11)15/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyDRGIGTUNKRKADT-UHFFFAOYSA-N
XLogP1.87
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2,3-dihydrobenzimidazol-1-yl)-3-(methylamino)propan-2-ol
CID 71132878
3-(2,3-dihydrobenzimidazol-1-yl)-N-methylpropan-1-amine
CID 89268995
N-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-1-amine
CID 63778604
N-(3-methylbutyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide
CID 64851827
4-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-methylpentan-1-amine
CID 113366656
4-heptan-3-yl-2,3-dihydro-1H-quinoxaline
CID 139398203
N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 55070322
3-(2,3-dihydroindol-1-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 137442813
(3R)-3-(3,3-dimethyl-2H-indol-1-yl)-N-methyl-3-phenylpropan-1-amine
CID 58838563
11-[3-(methylamino)propanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one
CID 20802897
N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide
CID 64851237
methyl 1-[1-(2,3-dihydrobenzimidazol-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 67859768

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine?
The IUPAC name of 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine (CID 143325148) is 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine?
The canonical SMILES for 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine is CNCCC(C)N1CNc2ccccc21.
What is the InChIKey of 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine?
The InChIKey is DRGIGTUNKRKADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(7-8-13-2)15-9-14-11-5-3-4-6-12(11)15/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine?
3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine has a molecular weight of 205.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrobenzimidazol-1-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 143325148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).