N,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen

C11H21N3 — CID 144872041

IUPACN,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen
SMILESCC.CNc1cc(C)c2nc[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C9H11N3.C2H6.2H2/c1-6-3-7(10-2)4-8-9(6)12-5-11-8;1-2;;/h3-5,10H,1-2H3,(H,11,12);1-2H3;2*1H
InChIKeyULHNMWSMKDYHNW-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.43
Rot. Bonds1

About N,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen

N,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen (PubChem CID 144872041) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen.

Molecular Properties

Compound NameN,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen
PubChem CID144872041
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen
SMILESCC.CNc1cc(C)c2nc[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C9H11N3.C2H6.2H2/c1-6-3-7(10-2)4-8-9(6)12-5-11-8;1-2;;/h3-5,10H,1-2H3,(H,11,12);1-2H3;2*1H
InChIKeyULHNMWSMKDYHNW-UHFFFAOYSA-N
XLogP3.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dimethyl-1H-benzimidazol-5-amine
CID 18400127
6-methyl-1,5-dihydroimidazo[4,5-c]pyridin-4-one
CID 45079524
4-fluoro-6-methyl-1H-benzimidazol-5-amine
CID 70645112
CID 58719682
CID 58719682
4-methyl-1H-imidazo[4,5-c]pyridine;molecular hydrogen
CID 176999050
ethane;4-methyl-1H-benzimidazol-5-ol
CID 178031880
N,6-dimethyl-5-(4-pyrrolidin-1-yl-1H-imidazo[4,5-c]pyridin-6-yl)pyridin-3-amine
CID 134379442
1-methyl-2-(7-methyl-3H-benzimidazol-5-yl)benzimidazole
CID 68560156
7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene
CID 57358712
1-(7-bromo-3H-benzimidazol-5-yl)-N-methylmethanamine
CID 83898803
methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate
CID 68793766
3-[(6,7-dimethyl-3H-benzimidazol-5-yl)amino]propane-1,2-diol
CID 168593521

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen?
The IUPAC name of N,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen (CID 144872041) is N,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen.
What is the SMILES notation for N,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen?
The canonical SMILES for N,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen is CC.CNc1cc(C)c2nc[nH]c2c1.[H][H].[H][H].
What is the InChIKey of N,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen?
The InChIKey is ULHNMWSMKDYHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.C2H6.2H2/c1-6-3-7(10-2)4-8-9(6)12-5-11-8;1-2;;/h3-5,10H,1-2H3,(H,11,12);1-2H3;2*1H.
What are the key properties of N,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen?
N,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen has a molecular weight of 195.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-3H-benzimidazol-5-amine;ethane;molecular hydrogen is sourced from PubChem (CID 144872041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).