1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine

C15H22N4 — CID 115246193

IUPAC1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
SMILESCNCC1(CNCc2ccc3nc[nH]c3c2)CCC1
InChIInChI=1S/C15H22N4/c1-16-9-15(5-2-6-15)10-17-8-12-3-4-13-14(7-12)19-11-18-13/h3-4,7,11,16-17H,2,5-6,8-10H2,1H3,(H,18,19)
InChIKeyMBSRRDVIRLBZQX-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.04
Rot. Bonds6

About 1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine

1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine (PubChem CID 115246193) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
PubChem CID115246193
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
SMILESCNCC1(CNCc2ccc3nc[nH]c3c2)CCC1
InChIInChI=1S/C15H22N4/c1-16-9-15(5-2-6-15)10-17-8-12-3-4-13-14(7-12)19-11-18-13/h3-4,7,11,16-17H,2,5-6,8-10H2,1H3,(H,18,19)
InChIKeyMBSRRDVIRLBZQX-UHFFFAOYSA-N
XLogP2.04
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891
[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213218
(3H-benzimidazol-5-ylmethylamino)methanethiol
CID 115227972
2-(3H-benzimidazol-5-ylmethylamino)acetonitrile
CID 115131027
2-(3H-benzimidazol-5-ylmethylamino)ethanethiol
CID 115223998
1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695
1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 141086275
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(3H-benzimidazol-5-yl)acetamide
CID 115271345
1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine
CID 116869295
ethyl 2-(3H-benzimidazol-5-ylmethylamino)acetate
CID 115257391
1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea
CID 110775446
2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine (CID 115246193) is 1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine is CNCC1(CNCc2ccc3nc[nH]c3c2)CCC1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine?
The InChIKey is MBSRRDVIRLBZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-16-9-15(5-2-6-15)10-17-8-12-3-4-13-14(7-12)19-11-18-13/h3-4,7,11,16-17H,2,5-6,8-10H2,1H3,(H,18,19).
What are the key properties of 1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine?
1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine is sourced from PubChem (CID 115246193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).