2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine

C12H17N3 — CID 83881603

IUPAC2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine
SMILESCc1nc2c(CC(C)CN)cccc2[nH]1
InChIInChI=1S/C12H17N3/c1-8(7-13)6-10-4-3-5-11-12(10)15-9(2)14-11/h3-5,8H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyATQYFOSNCNZQHR-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.01
Rot. Bonds3

About 2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine

2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine (PubChem CID 83881603) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine
PubChem CID83881603
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine
SMILESCc1nc2c(CC(C)CN)cccc2[nH]1
InChIInChI=1S/C12H17N3/c1-8(7-13)6-10-4-3-5-11-12(10)15-9(2)14-11/h3-5,8H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyATQYFOSNCNZQHR-UHFFFAOYSA-N
XLogP2.01
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde
CID 83874207
(2-methyl-1H-benzimidazol-4-yl)methyl acetate
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CID 165495037
4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole
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(2R)-2-methyl-3-naphthalen-1-ylpropan-1-amine
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4-(disulfanyl)-2-methyl-1H-benzimidazole
CID 126612674
2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc
CID 174200783
ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979
8-(3-amino-2-methylpropyl)-4-methyl-1H-quinolin-2-one
CID 83894368
(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542564
2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
CID 83866913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine (CID 83881603) is 2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine is Cc1nc2c(CC(C)CN)cccc2[nH]1.
What is the InChIKey of 2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine?
The InChIKey is ATQYFOSNCNZQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8(7-13)6-10-4-3-5-11-12(10)15-9(2)14-11/h3-5,8H,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine?
2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine is sourced from PubChem (CID 83881603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).