N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine

C23H27N7 — CID 19017748

IUPACN-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine
SMILESCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1cn(CC)cn1
InChIInChI=1S/C23H27N7/c1-3-5-14-30(22-16-29(4-2)17-24-22)15-18-10-12-19(13-11-18)20-8-6-7-9-21(20)23-25-27-28-26-23/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,25,26,27,28)
InChIKeyJMUJTWAKPNABSZ-UHFFFAOYSA-N
MW401.52 g/mol
LogP4.56
Rot. Bonds9

About N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine

N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine (PubChem CID 19017748) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine.

Molecular Properties

Compound NameN-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine
PubChem CID19017748
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC NameN-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine
SMILESCCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1cn(CC)cn1
InChIInChI=1S/C23H27N7/c1-3-5-14-30(22-16-29(4-2)17-24-22)15-18-10-12-19(13-11-18)20-8-6-7-9-21(20)23-25-27-28-26-23/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,25,26,27,28)
InChIKeyJMUJTWAKPNABSZ-UHFFFAOYSA-N
XLogP4.56
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine?
The IUPAC name of N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine (CID 19017748) is N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine.
What is the SMILES notation for N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine?
The canonical SMILES for N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine is CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1cn(CC)cn1.
What is the InChIKey of N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine?
The InChIKey is JMUJTWAKPNABSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7/c1-3-5-14-30(22-16-29(4-2)17-24-22)15-18-10-12-19(13-11-18)20-8-6-7-9-21(20)23-25-27-28-26-23/h6-13,16-17H,3-5,14-15H2,1-2H3,(H,25,26,27,28).
What are the key properties of N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine?
N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine has a molecular weight of 401.52 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-ethyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-amine is sourced from PubChem (CID 19017748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).