(1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine

C10H15N3 — CID 123648545

IUPAC(1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine
SMILESCC1=CC=C2C(C1)N=C(CN)N2C
InChIInChI=1S/C10H15N3/c1-7-3-4-9-8(5-7)12-10(6-11)13(9)2/h3-4,8H,5-6,11H2,1-2H3
InChIKeyJPDRNHZTIDMARS-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.89
Rot. Bonds1

About (1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine

(1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine (PubChem CID 123648545) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine
PubChem CID123648545
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine
SMILESCC1=CC=C2C(C1)N=C(CN)N2C
InChIInChI=1S/C10H15N3/c1-7-3-4-9-8(5-7)12-10(6-11)13(9)2/h3-4,8H,5-6,11H2,1-2H3
InChIKeyJPDRNHZTIDMARS-UHFFFAOYSA-N
XLogP0.89
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-(5-Fluoro-6,7,8,9-tetrahydro-2,9a-diazabenzo[cd]azulen-1-yl)ethylamine
CID 68158063
6-fluoro-2,4,5-trimethyl-3a,4-dihydro-1H-benzimidazole
CID 126707475
6-fluoro-2,5-dimethyl-3a,4-dihydro-1H-benzimidazole
CID 137466790
(5R)-2-methyl-5,6,7,7a-tetrahydro-3H-benzimidazol-5-amine
CID 155289082
(2-methyl-7,7a-dihydro-3H-benzimidazol-5-yl)methanamine
CID 70224389
3-(3a,4-dihydro-1H-benzimidazol-2-yl)-N-methylpentan-1-amine
CID 70988985
2,3-dimethyl-10H-imidazo[4,5-i]quinoline
CID 88145541
4-methyl-2-propyl-3a,7a-dihydro-1H-benzimidazole
CID 89098003
6-Methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole
CID 90745506
1,5-Dimethyl-2-(piperidin-4-ylmethyl)-3a,4-dihydrobenzimidazole
CID 123789944
4-[(4E,5Z)-4-[amino-(methylideneamino)methylidene]-2-butyl-5-cyclohexa-2,4-dien-1-ylideneimidazol-1-yl]butan-1-amine
CID 126701293
2-(2,5-dimethylhexa-2,4-dien-3-yl)-6-propyl-5,6-dihydro-3H-imidazo[4,5-c]pyridine
CID 130216918

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine?
The IUPAC name of (1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine (CID 123648545) is (1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine.
What is the SMILES notation for (1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine?
The canonical SMILES for (1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine is CC1=CC=C2C(C1)N=C(CN)N2C.
What is the InChIKey of (1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine?
The InChIKey is JPDRNHZTIDMARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7-3-4-9-8(5-7)12-10(6-11)13(9)2/h3-4,8H,5-6,11H2,1-2H3.
What are the key properties of (1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine?
(1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine has a molecular weight of 177.25 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethyl-3a,4-dihydrobenzimidazol-2-yl)methanamine is sourced from PubChem (CID 123648545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).