1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine

C22H34N6 — CID 159011652

IUPAC1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine
SMILESC.CC(C)C.CC(C)n1c(N)nc2ccccc21.Nc1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3.C7H7N3.C4H10.CH4/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11;8-7-9-5-3-1-2-4-6(5)10-7;1-4(2)3;/h3-7H,1-2H3,(H2,11,12);1-4H,(H3,8,9,10);4H,1-3H3;1H4
InChIKeyJSOJGXQZYAOVPZ-UHFFFAOYSA-N
MW382.56 g/mol
LogP5.64
Rot. Bonds1

About 1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine

1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine (PubChem CID 159011652) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is 1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine
PubChem CID159011652
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC Name1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine
SMILESC.CC(C)C.CC(C)n1c(N)nc2ccccc21.Nc1nc2ccccc2[nH]1
InChIInChI=1S/C10H13N3.C7H7N3.C4H10.CH4/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11;8-7-9-5-3-1-2-4-6(5)10-7;1-4(2)3;/h3-7H,1-2H3,(H2,11,12);1-4H,(H3,8,9,10);4H,1-3H3;1H4
InChIKeyJSOJGXQZYAOVPZ-UHFFFAOYSA-N
XLogP5.64
TPSA98.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.56
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride
CID 10440546
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride
CID 133143586
3-(2-aminobenzimidazol-1-yl)butan-2-one
CID 82358956
3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
CID 46974251
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413
2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride
CID 122169362
1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine
CID 64643418
1-(4-methylsulfinylbutan-2-yl)benzimidazol-2-amine
CID 113493605
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
1-propan-2-ylbenzimidazole-2-sulfonate
CID 7853257

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine?
The IUPAC name of 1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine (CID 159011652) is 1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine.
What is the SMILES notation for 1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine?
The canonical SMILES for 1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine is C.CC(C)C.CC(C)n1c(N)nc2ccccc21.Nc1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine?
The InChIKey is JSOJGXQZYAOVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.C7H7N3.C4H10.CH4/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11;8-7-9-5-3-1-2-4-6(5)10-7;1-4(2)3;/h3-7H,1-2H3,(H2,11,12);1-4H,(H3,8,9,10);4H,1-3H3;1H4.
What are the key properties of 1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine?
1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine has a molecular weight of 382.56 g/mol, XLogP of 5.64, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-amine;methane;2-methylpropane;1-propan-2-ylbenzimidazol-2-amine is sourced from PubChem (CID 159011652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).