4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine

C15H23N3 — CID 96675145

IUPAC4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
SMILESCc1nc2cc(CCCCN)ccc2n1C(C)C
InChIInChI=1S/C15H23N3/c1-11(2)18-12(3)17-14-10-13(6-4-5-9-16)7-8-15(14)18/h7-8,10-11H,4-6,9,16H2,1-3H3
InChIKeyDFCMGDDYFRJKIA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.21
Rot. Bonds5

About 4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine

4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine (PubChem CID 96675145) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
PubChem CID96675145
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
SMILESCc1nc2cc(CCCCN)ccc2n1C(C)C
InChIInChI=1S/C15H23N3/c1-11(2)18-12(3)17-14-10-13(6-4-5-9-16)7-8-15(14)18/h7-8,10-11H,4-6,9,16H2,1-3H3
InChIKeyDFCMGDDYFRJKIA-UHFFFAOYSA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine
CID 117338878
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propanal
CID 117332811
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
CID 117336784
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475
3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919824
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
3-(2-methyl-1-propan-2-ylindol-6-yl)propan-1-amine
CID 117204891
2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786059
N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine
CID 115201448
N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine
CID 82500695
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide
CID 110786061
2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786066

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine?
The IUPAC name of 4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine (CID 96675145) is 4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine.
What is the SMILES notation for 4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine?
The canonical SMILES for 4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine is Cc1nc2cc(CCCCN)ccc2n1C(C)C.
What is the InChIKey of 4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine?
The InChIKey is DFCMGDDYFRJKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(2)18-12(3)17-14-10-13(6-4-5-9-16)7-8-15(14)18/h7-8,10-11H,4-6,9,16H2,1-3H3.
What are the key properties of 4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine?
4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine is sourced from PubChem (CID 96675145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).