1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine

C18H29N3 — CID 63498284

IUPAC1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)CCCC(C)n1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C18H29N3/c1-12(2)7-6-8-14(5)21-17-10-9-15(19)11-16(17)20-18(21)13(3)4/h9-14H,6-8,19H2,1-5H3
InChIKeyKQYRTVBFJNNQCU-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.13
Rot. Bonds6

About 1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine

1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 63498284) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
PubChem CID63498284
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)CCCC(C)n1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C18H29N3/c1-12(2)7-6-8-14(5)21-17-10-9-15(19)11-16(17)20-18(21)13(3)4/h9-14H,6-8,19H2,1-5H3
InChIKeyKQYRTVBFJNNQCU-UHFFFAOYSA-N
XLogP5.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(1-methoxypropan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507197
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
CID 55080352
1-(3-methylpentan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62506902
1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
CID 62589068
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360481
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
CID 103113457
2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
CID 62993400
2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine
CID 62843355
1-benzyl-2-propan-2-ylbenzimidazol-5-amine
CID 43830828
1-[2-(dimethylamino)-2-methylpropyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62494966

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine (CID 63498284) is 1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine is CC(C)CCCC(C)n1c(C(C)C)nc2cc(N)ccc21.
What is the InChIKey of 1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is KQYRTVBFJNNQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-12(2)7-6-8-14(5)21-17-10-9-15(19)11-16(17)20-18(21)13(3)4/h9-14H,6-8,19H2,1-5H3.
What are the key properties of 1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine?
1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 287.45 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptan-2-yl)-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 63498284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).