3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine

C13H19N3 — CID 43379497

IUPAC3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
SMILESCc1ccc2nc(C(N)CC(C)C)[nH]c2c1
InChIInChI=1S/C13H19N3/c1-8(2)6-10(14)13-15-11-5-4-9(3)7-12(11)16-13/h4-5,7-8,10H,6,14H2,1-3H3,(H,15,16)
InChIKeyNJEWTLMLNWBVMJ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.92
Rot. Bonds3

About 3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine

3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine (PubChem CID 43379497) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
PubChem CID43379497
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
SMILESCc1ccc2nc(C(N)CC(C)C)[nH]c2c1
InChIInChI=1S/C13H19N3/c1-8(2)6-10(14)13-15-11-5-4-9(3)7-12(11)16-13/h4-5,7-8,10H,6,14H2,1-3H3,(H,15,16)
InChIKeyNJEWTLMLNWBVMJ-UHFFFAOYSA-N
XLogP2.92
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
1-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpropan-1-amine
CID 114917404
(1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine
CID 130405228
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
2-[(2R)-1-methoxypropan-2-yl]-6-methyl-1H-benzimidazole
CID 143794586
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
CID 23453418
3-methyl-1-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)butan-1-amine
CID 43114498
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 102488846
(1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine
CID 118864392

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine (CID 43379497) is 3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine is Cc1ccc2nc(C(N)CC(C)C)[nH]c2c1.
What is the InChIKey of 3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine?
The InChIKey is NJEWTLMLNWBVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-8(2)6-10(14)13-15-11-5-4-9(3)7-12(11)16-13/h4-5,7-8,10H,6,14H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine?
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 43379497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).