tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate

C14H21N5O2 — CID 114517994

IUPACtert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)17-7-6-16-12-18-10-5-4-9(15)8-11(10)19-12/h4-5,8H,6-7,15H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeyFWOCFKMULBTMOH-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.08
Rot. Bonds4

About tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate

tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate (PubChem CID 114517994) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate
PubChem CID114517994
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Nametert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)17-7-6-16-12-18-10-5-4-9(15)8-11(10)19-12/h4-5,8H,6-7,15H2,1-3H3,(H,17,20)(H2,16,18,19)
InChIKeyFWOCFKMULBTMOH-UHFFFAOYSA-N
XLogP2.08
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]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

tert-butyl N-(6-amino-1H-benzimidazol-2-yl)carbamate
CID 69105949
tert-butyl N-[3-(1H-benzimidazol-2-ylamino)propyl]carbamate
CID 15425062
2-N-(2-propan-2-yloxyethyl)-3H-benzimidazole-2,5-diamine
CID 113449876
2-(2-acetamidoethylamino)-3H-benzimidazole-5-carboxylic acid
CID 82563089
tert-butyl N-(6-amino-1H-benzimidazol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 91420963
2-N-[2-(2-methylprop-2-enoxy)ethyl]-3H-benzimidazole-2,5-diamine
CID 114465272
tert-butyl N-[2-(6-amino-1H-indol-2-yl)ethyl]carbamate;tert-butyl N-[2-(6-nitro-1H-indol-2-yl)ethyl]carbamate;methane
CID 159835516
tert-butyl N-[(6-amino-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 163397661
2-N-(3-methylpentan-3-yl)-3H-benzimidazole-2,5-diamine
CID 106328017
tert-butyl N-[(6-ethynyl-1H-benzimidazol-2-yl)methyl]carbamate
CID 88874328
tert-butyl N-[(6-cyano-1H-benzimidazol-2-yl)methyl]carbamate
CID 118213920
tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate
CID 104932643

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate (CID 114517994) is tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1nc2ccc(N)cc2[nH]1.
What is the InChIKey of tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate?
The InChIKey is FWOCFKMULBTMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-14(2,3)21-13(20)17-7-6-16-12-18-10-5-4-9(15)8-11(10)19-12/h4-5,8H,6-7,15H2,1-3H3,(H,17,20)(H2,16,18,19).
What are the key properties of tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate has a molecular weight of 291.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate is sourced from PubChem (CID 114517994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).