N"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine

C9H15N5 — CID 58185819

IUPACN"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine
SMILESCNC(N)NC1N=C2C=CC=CC2N1
InChIInChI=1S/C9H15N5/c1-11-8(10)14-9-12-6-4-2-3-5-7(6)13-9/h2-6,8-9,11-12,14H,10H2,1H3
InChIKeyGFWJQWLHJWHXMZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP-1.14
Rot. Bonds3

About N"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine

N"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine (PubChem CID 58185819) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is N"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine.

Molecular Properties

Compound NameN"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine
PubChem CID58185819
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC NameN"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine
SMILESCNC(N)NC1N=C2C=CC=CC2N1
InChIInChI=1S/C9H15N5/c1-11-8(10)14-9-12-6-4-2-3-5-7(6)13-9/h2-6,8-9,11-12,14H,10H2,1H3
InChIKeyGFWJQWLHJWHXMZ-UHFFFAOYSA-N
XLogP-1.14
TPSA74.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,7a-dihydro-1H-benzimidazole
CID 58625633
2,7a-dihydro-1H-benzimidazol-5-amine
CID 68160569
2-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine
CID 70660433
3-Methyl-2,3a-dihydrobenzimidazole
CID 90246614
1-(2H-indol-3-yl)-N-methylethanamine
CID 91008686
1-(2,7a-dihydro-1H-benzimidazol-2-yl)-2-methylguanidine
CID 123244226
2-methyl-2,7a-dihydro-1H-benzimidazole
CID 139324229
ethane;N-ethyl-2H-1,3-benzazaborol-2-amine
CID 144376441
2-ethyl-2,7a-dihydro-1H-benzimidazole
CID 144476583
6-bromo-2,7a-dihydro-1H-benzimidazol-2-amine
CID 156825515
2,7a-dihydro-1H-benzimidazol-2-amine
CID 173180409
1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine
CID 176529428

Frequently Asked Questions

What is the IUPAC name of N"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine?
The IUPAC name of N"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine (CID 58185819) is N"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine.
What is the SMILES notation for N"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine?
The canonical SMILES for N"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine is CNC(N)NC1N=C2C=CC=CC2N1.
What is the InChIKey of N"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine?
The InChIKey is GFWJQWLHJWHXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-11-8(10)14-9-12-6-4-2-3-5-7(6)13-9/h2-6,8-9,11-12,14H,10H2,1H3.
What are the key properties of N"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine?
N"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine has a molecular weight of 193.25 g/mol, XLogP of -1.14, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N"-(2,7a-dihydro-1H-benzimidazol-2-yl)-N'-methylmethanetriamine is sourced from PubChem (CID 58185819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).