3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine

C13H20N4 — CID 115200406

IUPAC3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine
SMILESCc1nc2ccc(NCCC(C)(C)N)cc2[nH]1
InChIInChI=1S/C13H20N4/c1-9-16-11-5-4-10(8-12(11)17-9)15-7-6-13(2,3)14/h4-5,8,15H,6-7,14H2,1-3H3,(H,16,17)
InChIKeyMZKVBQKQLQUWEP-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.41
Rot. Bonds4

About 3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine

3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine (PubChem CID 115200406) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine
PubChem CID115200406
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine
SMILESCc1nc2ccc(NCCC(C)(C)N)cc2[nH]1
InChIInChI=1S/C13H20N4/c1-9-16-11-5-4-10(8-12(11)17-9)15-7-6-13(2,3)14/h4-5,8,15H,6-7,14H2,1-3H3,(H,16,17)
InChIKeyMZKVBQKQLQUWEP-UHFFFAOYSA-N
XLogP2.41
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine
CID 115199843
3-[(2-methyl-3H-benzimidazol-5-yl)amino]propanoic acid
CID 82493805
2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine
CID 115229809
2-amino-3,3,3-trifluoro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79797650
4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115156908
2-methyl-N-(1,3-thiazol-5-ylmethyl)-3H-benzimidazol-5-amine
CID 62759070
2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine
CID 115244542
2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
CID 43746402
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
N-[(2-fluoro-5-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 103818702

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine?
The IUPAC name of 3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine (CID 115200406) is 3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine.
What is the SMILES notation for 3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine?
The canonical SMILES for 3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine is Cc1nc2ccc(NCCC(C)(C)N)cc2[nH]1.
What is the InChIKey of 3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine?
The InChIKey is MZKVBQKQLQUWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9-16-11-5-4-10(8-12(11)17-9)15-7-6-13(2,3)14/h4-5,8,15H,6-7,14H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine?
3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine is sourced from PubChem (CID 115200406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).