[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine

C13H19N3 — CID 79004415

IUPAC[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine
SMILESCC(C)C(C)c1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C13H19N3/c1-8(2)9(3)13-15-11-5-4-10(7-14)6-12(11)16-13/h4-6,8-9H,7,14H2,1-3H3,(H,15,16)
InChIKeyMODFSFOGPUAKFZ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.78
Rot. Bonds3

About [2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine

[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 79004415) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is [2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine
PubChem CID79004415
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine
SMILESCC(C)C(C)c1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C13H19N3/c1-8(2)9(3)13-15-11-5-4-10(7-14)6-12(11)16-13/h4-6,8-9H,7,14H2,1-3H3,(H,15,16)
InChIKeyMODFSFOGPUAKFZ-UHFFFAOYSA-N
XLogP2.78
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-cyclopropylethyl)-3H-benzimidazol-5-yl]methanamine
CID 83151812
(2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine
CID 79004401
O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 117293706
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one
CID 177146036
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
[2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine
CID 79004482
[2-(methylaminomethyl)-3H-benzimidazol-5-yl]methanamine
CID 83949221
(2-butyl-3H-benzimidazol-5-yl)methanamine
CID 79004472
N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine
CID 82336183
[2-(2-methoxyethyl)-3H-benzimidazol-5-yl]methanamine
CID 79004507
2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol
CID 81432291

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine (CID 79004415) is [2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine is CC(C)C(C)c1nc2ccc(CN)cc2[nH]1.
What is the InChIKey of [2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is MODFSFOGPUAKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-8(2)9(3)13-15-11-5-4-10(7-14)6-12(11)16-13/h4-6,8-9H,7,14H2,1-3H3,(H,15,16).
What are the key properties of [2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine?
[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 217.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 79004415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).