N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine

C12H17N5 — CID 123929707

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine
SMILESCCC1=C(NC2=NCCN2)C=CC2NC=NC12
InChIInChI=1S/C12H17N5/c1-2-8-9(17-12-13-5-6-14-12)3-4-10-11(8)16-7-15-10/h3-4,7,10-11H,2,5-6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyRYIYPOQQZXYWOS-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.14
Rot. Bonds2

About N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine (PubChem CID 123929707) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine
PubChem CID123929707
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine
SMILESCCC1=C(NC2=NCCN2)C=CC2NC=NC12
InChIInChI=1S/C12H17N5/c1-2-8-9(17-12-13-5-6-14-12)3-4-10-11(8)16-7-15-10/h3-4,7,10-11H,2,5-6H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyRYIYPOQQZXYWOS-UHFFFAOYSA-N
XLogP0.14
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine with MolForge

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Related Compounds

2-[(2S)-4-but-3-enyl-5-methyl-2,3-dihydro-1H-imidazol-2-yl]-3a,7a-dihydro-1H-benzimidazole
CID 68377602
(2E,4Z,7E,8Z,10E)-7-butan-2-ylidene-5-[(Z)-but-2-en-2-yl]-3-N,10-N-bis(4,5-dihydro-1H-imidazol-2-yl)dodeca-2,4,8,10-tetraene-3,10-diamine
CID 89171591
N-(2-methylcyclohexa-1,5-dien-1-yl)-3a,7a-dihydro-1H-benzimidazol-2-amine
CID 89687317
2-N-[8-(1-aminoethyl)-4-methyl-5,6-dihydro-1H-quinazolin-4-yl]-3-cyclohepta-1,3,6-trien-1-yl-1-N-methylpropane-1,2-diamine
CID 91039308
4-ethyl-3a,7a-dihydro-1H-benzimidazole
CID 91578376
5-methyl-3a,4-dihydro-1H-benzimidazole
CID 138535071
N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine
CID 142663098
(5E,7Z)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-ethyl-9-methylidene-1,4-dihydro-1,3-diazonin-6-amine
CID 144145234
7-methyl-3a,4-dihydro-1H-benzimidazole
CID 146551465
(5R)-5-[(3Z,5Z)-3,5-dimethylhepta-1,3,5-trien-2-yl]-4,5-dihydro-1H-imidazol-2-amine
CID 156346170
3-(3a,7a-dihydro-3H-benzimidazol-5-yl)propan-1-amine
CID 170631484

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine (CID 123929707) is N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine is CCC1=C(NC2=NCCN2)C=CC2NC=NC12.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine?
The InChIKey is RYIYPOQQZXYWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-8-9(17-12-13-5-6-14-12)3-4-10-11(8)16-7-15-10/h3-4,7,10-11H,2,5-6H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-3a,7a-dihydro-1H-benzimidazol-5-amine is sourced from PubChem (CID 123929707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).