tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate

C25H35N5O2 — CID 67272743

IUPACtert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate
SMILESCc1cccnc1CN(CCCCNC(=O)OC(C)(C)C)Cc1nc2ccccc2n1C
InChIInChI=1S/C25H35N5O2/c1-19-11-10-15-26-21(19)17-30(16-9-8-14-27-24(31)32-25(2,3)4)18-23-28-20-12-6-7-13-22(20)29(23)5/h6-7,10-13,15H,8-9,14,16-18H2,1-5H3,(H,27,31)
InChIKeyBRICPLVMVBWAFR-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.58
Rot. Bonds9

About tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate

tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate (PubChem CID 67272743) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate
PubChem CID67272743
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Nametert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate
SMILESCc1cccnc1CN(CCCCNC(=O)OC(C)(C)C)Cc1nc2ccccc2n1C
InChIInChI=1S/C25H35N5O2/c1-19-11-10-15-26-21(19)17-30(16-9-8-14-27-24(31)32-25(2,3)4)18-23-28-20-12-6-7-13-22(20)29(23)5/h6-7,10-13,15H,8-9,14,16-18H2,1-5H3,(H,27,31)
InChIKeyBRICPLVMVBWAFR-UHFFFAOYSA-N
XLogP4.58
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-O-benzyl 1-O-tert-butyl 2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperazine-1,4-dicarboxylate
CID 155767249
tert-butyl N-(4-imidazo[4,5-b]pyridin-3-ylbutyl)carbamate
CID 23562613
methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate
CID 86237797
tert-butyl N-[5-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]pentyl]carbamate
CID 146342120
3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzimidazol-1-yl]propane-1-sulfonic acid
CID 134429078
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172746
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
tert-butyl N-[4-[2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]carbamate
CID 69317001
tert-butyl N-[4-[4-aminobutyl(anthracen-9-ylmethyl)amino]butyl]carbamate
CID 11385381
tert-butyl N-[1-[(1-methylbenzimidazol-2-yl)methylamino]propan-2-yl]carbamate
CID 107247403

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate (CID 67272743) is tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate is Cc1cccnc1CN(CCCCNC(=O)OC(C)(C)C)Cc1nc2ccccc2n1C.
What is the InChIKey of tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate?
The InChIKey is BRICPLVMVBWAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-19-11-10-15-26-21(19)17-30(16-9-8-14-27-24(31)32-25(2,3)4)18-23-28-20-12-6-7-13-22(20)29(23)5/h6-7,10-13,15H,8-9,14,16-18H2,1-5H3,(H,27,31).
What are the key properties of tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate?
tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate has a molecular weight of 437.59 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1-methylbenzimidazol-2-yl)methyl-[(3-methyl-2-pyridinyl)methyl]amino]butyl]carbamate is sourced from PubChem (CID 67272743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).