2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine

C13H20N4 — CID 115199843

IUPAC2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine
SMILESCc1nc2ccc(NCC(C)(C)CN)cc2[nH]1
InChIInChI=1S/C13H20N4/c1-9-16-11-5-4-10(6-12(11)17-9)15-8-13(2,3)7-14/h4-6,15H,7-8,14H2,1-3H3,(H,16,17)
InChIKeyLRZOCVCXLOSKMH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.27
Rot. Bonds4

About 2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine

2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine (PubChem CID 115199843) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine
PubChem CID115199843
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine
SMILESCc1nc2ccc(NCC(C)(C)CN)cc2[nH]1
InChIInChI=1S/C13H20N4/c1-9-16-11-5-4-10(6-12(11)17-9)15-8-13(2,3)7-14/h4-6,15H,7-8,14H2,1-3H3,(H,16,17)
InChIKeyLRZOCVCXLOSKMH-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine
CID 115200406
2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine
CID 115229809
4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115156908
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
3-[(2-methyl-3H-benzimidazol-5-yl)amino]propanoic acid
CID 82493805
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
methyl 2-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]butanoate
CID 115253018
4-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,4-diamine
CID 12730721
N-[(2-ethylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62392283
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzoic acid
CID 65347579
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]benzamide
CID 43791195
2-methyl-N-(thiophen-2-ylmethyl)-3H-benzimidazol-5-amine
CID 43746402

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine (CID 115199843) is 2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine is Cc1nc2ccc(NCC(C)(C)CN)cc2[nH]1.
What is the InChIKey of 2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine?
The InChIKey is LRZOCVCXLOSKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9-16-11-5-4-10(6-12(11)17-9)15-8-13(2,3)7-14/h4-6,15H,7-8,14H2,1-3H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine?
2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 115199843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).