2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

C10H17N3 — CID 82409325

IUPAC2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCCc1nc2c(n1C)CC(N)CC2
InChIInChI=1S/C10H17N3/c1-3-10-12-8-5-4-7(11)6-9(8)13(10)2/h7H,3-6,11H2,1-2H3
InChIKeyQYEFNFMMMUZCGR-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.80
Rot. Bonds1

About 2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine (PubChem CID 82409325) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
PubChem CID82409325
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCCc1nc2c(n1C)CC(N)CC2
InChIInChI=1S/C10H17N3/c1-3-10-12-8-5-4-7(11)6-9(8)13(10)2/h7H,3-6,11H2,1-2H3
InChIKeyQYEFNFMMMUZCGR-UHFFFAOYSA-N
XLogP0.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4,5,6,7-tetrahydrobenzotriazol-5-amine
CID 84717166
(5R)-3-[(2R)-butan-2-yl]-4,5,6,7-tetrahydrobenzotriazol-5-amine
CID 125455275
3-ethyl-1-methyl-4,5,6,7-tetrahydroindazol-6-amine
CID 142607886
2-ethyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
CID 84652464
2,3-dimethyl-5,6-dihydro-4H-cyclopenta[d]imidazol-5-amine
CID 82417230
2-(2,3-dimethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)acetic acid
CID 82395345
1-bromo-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 83720933
2-(2-methoxypropan-2-yl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
CID 103022949
1-(cyclopropylmethyl)-2-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64857297
2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
CID 107186446
ethyl 6-amino-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 83854760
1-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)propan-2-amine
CID 83848563

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The IUPAC name of 2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine (CID 82409325) is 2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The canonical SMILES for 2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine is CCc1nc2c(n1C)CC(N)CC2.
What is the InChIKey of 2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The InChIKey is QYEFNFMMMUZCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-10-12-8-5-4-7(11)6-9(8)13(10)2/h7H,3-6,11H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine has a molecular weight of 179.27 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine is sourced from PubChem (CID 82409325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).