1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine

C14H21N5 — CID 116956654

IUPAC1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
SMILESCNC(c1ccc2nc[nH]c2c1)C1CNCCN1C
InChIInChI=1S/C14H21N5/c1-15-14(13-8-16-5-6-19(13)2)10-3-4-11-12(7-10)18-9-17-11/h3-4,7,9,13-16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyNQMCVNIAGIAVHS-UHFFFAOYSA-N
MW259.36 g/mol
LogP0.73
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine

1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine (PubChem CID 116956654) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
PubChem CID116956654
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
SMILESCNC(c1ccc2nc[nH]c2c1)C1CNCCN1C
InChIInChI=1S/C14H21N5/c1-15-14(13-8-16-5-6-19(13)2)10-3-4-11-12(7-10)18-9-17-11/h3-4,7,9,13-16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyNQMCVNIAGIAVHS-UHFFFAOYSA-N
XLogP0.73
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
2-[3H-benzimidazol-5-yl(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953841
6-(1-piperazin-1-ylpropyl)-1H-benzimidazole
CID 82497699
2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde
CID 116954226
1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine
CID 116906262
1-(3H-benzimidazol-5-yl)-1-piperazin-1-ylpropan-2-one
CID 116859880
1-(3H-benzimidazol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947969
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
4-[3H-benzimidazol-5-yl(methylamino)methyl]-N-methylaniline
CID 116952117
1-(1,3-benzoxazol-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951082
6-pentan-3-yl-1H-benzimidazole
CID 134401277
1-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 81229525

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine (CID 116956654) is 1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine is CNC(c1ccc2nc[nH]c2c1)C1CNCCN1C.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
The InChIKey is NQMCVNIAGIAVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-15-14(13-8-16-5-6-19(13)2)10-3-4-11-12(7-10)18-9-17-11/h3-4,7,9,13-16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine?
1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine has a molecular weight of 259.36 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine is sourced from PubChem (CID 116956654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).