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

C19H22N4O2 — CID 169489442

IUPACtert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate
SMILESCc1ccc2nc(Nc3ccccc3NC(=O)OC(C)(C)C)[nH]c2c1
InChIInChI=1S/C19H22N4O2/c1-12-9-10-15-16(11-12)22-17(21-15)20-13-7-5-6-8-14(13)23-18(24)25-19(2,3)4/h5-11H,1-4H3,(H,23,24)(H2,20,21,22)
InChIKeyMXLUUHKUEZBNLK-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.96
Rot. Bonds3

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

tert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate (PubChem CID 169489442) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is tert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate
PubChem CID169489442
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Nametert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate
SMILESCc1ccc2nc(Nc3ccccc3NC(=O)OC(C)(C)C)[nH]c2c1
InChIInChI=1S/C19H22N4O2/c1-12-9-10-15-16(11-12)22-17(21-15)20-13-7-5-6-8-14(13)23-18(24)25-19(2,3)4/h5-11H,1-4H3,(H,23,24)(H2,20,21,22)
InChIKeyMXLUUHKUEZBNLK-UHFFFAOYSA-N
XLogP4.96
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(6-amino-1H-benzimidazol-2-yl)carbamate
CID 69105949
tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate
CID 69315401
1-tert-butyl-3-(6-methyl-1H-benzimidazol-2-yl)urea
CID 102320538
tert-butyl N-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate
CID 154704341
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
2-(2-bromoanilino)-3H-benzimidazole-5-carboxylic acid
CID 68520464
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-benzimidazol-5-yl] 2,6-dichlorobenzenesulfonate
CID 86622294
tert-butyl N-[2-[(6-amino-1H-benzimidazol-2-yl)amino]ethyl]carbamate
CID 114517994
tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-[2-[[4-[[(6-methyl-1,3-benzothiazol-2-yl)amino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930529
tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate
CID 134485440
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate (CID 169489442) is tert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate is Cc1ccc2nc(Nc3ccccc3NC(=O)OC(C)(C)C)[nH]c2c1.
What is the InChIKey of tert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate?
The InChIKey is MXLUUHKUEZBNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-9-10-15-16(11-12)22-17(21-15)20-13-7-5-6-8-14(13)23-18(24)25-19(2,3)4/h5-11H,1-4H3,(H,23,24)(H2,20,21,22).
What are the key properties of tert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate?
tert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate has a molecular weight of 338.41 g/mol, XLogP of 4.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(6-methyl-1H-benzimidazol-2-yl)amino]phenyl]carbamate is sourced from PubChem (CID 169489442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).