2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine

C13H19N3 — CID 116930917

IUPAC2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H19N3/c1-3-10(8-14)6-11-4-5-12-13(7-11)16-9(2)15-12/h4-5,7,10H,3,6,8,14H2,1-2H3,(H,15,16)
InChIKeyKJDUHLLTPGKIDD-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.40
Rot. Bonds4

About 2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine

2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine (PubChem CID 116930917) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine
PubChem CID116930917
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine
SMILESCCC(CN)Cc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H19N3/c1-3-10(8-14)6-11-4-5-12-13(7-11)16-9(2)15-12/h4-5,7,10H,3,6,8,14H2,1-2H3,(H,15,16)
InChIKeyKJDUHLLTPGKIDD-UHFFFAOYSA-N
XLogP2.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol
CID 115250935
(2S)-2-amino-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 96583220
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
3-N-methyl-3-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]butane-1,3-diamine
CID 117040485
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
CID 116928691
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
[1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine
CID 116929339
3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115134746
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
CID 116926269
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115244142
[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methanol
CID 115229198

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine?
The IUPAC name of 2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine (CID 116930917) is 2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for 2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine is CCC(CN)Cc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of 2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine?
The InChIKey is KJDUHLLTPGKIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-10(8-14)6-11-4-5-12-13(7-11)16-9(2)15-12/h4-5,7,10H,3,6,8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine?
2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3H-benzimidazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 116930917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).