N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine

C32H39F3N4 — CID 18437724

IUPACN-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine
SMILESCCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc2c(ccn2C)c1)CC1CCCCC1
InChIInChI=1S/C32H39F3N4/c1-3-4-18-39-29(30(32(33,34)35)36-31(39)26-13-9-6-10-14-26)23-38(21-24-11-7-5-8-12-24)22-25-15-16-28-27(20-25)17-19-37(28)2/h6,9-10,13-17,19-20,24H,3-5,7-8,11-12,18,21-23H2,1-2H3
InChIKeySNMOZZIRXNVPJA-UHFFFAOYSA-N
MW536.69 g/mol
LogP8.44
Rot. Bonds10

About N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine

N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine (PubChem CID 18437724) has the molecular formula C32H39F3N4 and a molecular weight of 536.69 g/mol. Its IUPAC name is N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine
PubChem CID18437724
Molecular FormulaC32H39F3N4
Molecular Weight536.69 g/mol
Exact Mass536.31
IUPAC NameN-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine
SMILESCCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc2c(ccn2C)c1)CC1CCCCC1
InChIInChI=1S/C32H39F3N4/c1-3-4-18-39-29(30(32(33,34)35)36-31(39)26-13-9-6-10-14-26)23-38(21-24-11-7-5-8-12-24)22-25-15-16-28-27(20-25)17-19-37(28)2/h6,9-10,13-17,19-20,24H,3-5,7-8,11-12,18,21-23H2,1-2H3
InChIKeySNMOZZIRXNVPJA-UHFFFAOYSA-N
XLogP8.44
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.69
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine?
The IUPAC name of N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine (CID 18437724) is N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine.
What is the SMILES notation for N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine?
The canonical SMILES for N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine is CCCCn1c(-c2ccccc2)nc(C(F)(F)F)c1CN(Cc1ccc2c(ccn2C)c1)CC1CCCCC1.
What is the InChIKey of N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine?
The InChIKey is SNMOZZIRXNVPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39F3N4/c1-3-4-18-39-29(30(32(33,34)35)36-31(39)26-13-9-6-10-14-26)23-38(21-24-11-7-5-8-12-24)22-25-15-16-28-27(20-25)17-19-37(28)2/h6,9-10,13-17,19-20,24H,3-5,7-8,11-12,18,21-23H2,1-2H3.
What are the key properties of N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine?
N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine has a molecular weight of 536.69 g/mol, XLogP of 8.44, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-butyl-2-phenyl-5-(trifluoromethyl)imidazol-4-yl]methyl]-1-cyclohexyl-N-[(1-methylindol-5-yl)methyl]methanamine is sourced from PubChem (CID 18437724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).