2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine

C13H19N5 — CID 115229809

IUPAC2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCN3CCNCC3)cc2[nH]1
InChIInChI=1S/C13H19N5/c1-10-16-12-3-2-11(8-13(12)17-10)15-9-18-6-4-14-5-7-18/h2-3,8,14-15H,4-7,9H2,1H3,(H,16,17)
InChIKeyMCEYCKPNEFGKDG-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.15
Rot. Bonds3

About 2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine

2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine (PubChem CID 115229809) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine
PubChem CID115229809
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine
SMILESCc1nc2ccc(NCN3CCNCC3)cc2[nH]1
InChIInChI=1S/C13H19N5/c1-10-16-12-3-2-11(8-13(12)17-10)15-9-18-6-4-14-5-7-18/h2-3,8,14-15H,4-7,9H2,1H3,(H,16,17)
InChIKeyMCEYCKPNEFGKDG-UHFFFAOYSA-N
XLogP1.15
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)propane-1,3-diamine
CID 115199843
2-methyl-6-piperazin-1-yl-1H-benzimidazole
CID 20580687
3-methyl-1-N-(2-methyl-3H-benzimidazol-5-yl)butane-1,3-diamine
CID 115200406
2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine
CID 115244542
2-methyl-N-(piperazin-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 115229812
1-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242005
N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine
CID 113361498
N-(furan-3-ylmethyl)-2-methyl-3H-benzimidazol-5-amine
CID 55163006
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
2-methyl-6-(1-piperazin-1-ylethyl)-1H-benzimidazole
CID 82497698
3-[(2-methyl-3H-benzimidazol-5-yl)amino]propanoic acid
CID 82493805
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine (CID 115229809) is 2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine is Cc1nc2ccc(NCN3CCNCC3)cc2[nH]1.
What is the InChIKey of 2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine?
The InChIKey is MCEYCKPNEFGKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-16-12-3-2-11(8-13(12)17-10)15-9-18-6-4-14-5-7-18/h2-3,8,14-15H,4-7,9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine?
2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 115229809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).