tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate

C18H26N4O2 — CID 133410404

IUPACtert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)24-17(23)20-13-10-8-12(9-11-13)19-16-21-14-6-4-5-7-15(14)22-16/h4-7,12-13H,8-11H2,1-3H3,(H,20,23)(H2,19,21,22)
InChIKeyKQSDLMXIGHCWFI-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.81
Rot. Bonds3

About tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate

tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate (PubChem CID 133410404) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate
PubChem CID133410404
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Nametert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Nc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)24-17(23)20-13-10-8-12(9-11-13)19-16-21-14-6-4-5-7-15(14)22-16/h4-7,12-13H,8-11H2,1-3H3,(H,20,23)(H2,19,21,22)
InChIKeyKQSDLMXIGHCWFI-UHFFFAOYSA-N
XLogP3.81
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate (CID 133410404) is tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Nc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate?
The InChIKey is KQSDLMXIGHCWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(2,3)24-17(23)20-13-10-8-12(9-11-13)19-16-21-14-6-4-5-7-15(14)22-16/h4-7,12-13H,8-11H2,1-3H3,(H,20,23)(H2,19,21,22).
What are the key properties of tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate has a molecular weight of 330.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]carbamate is sourced from PubChem (CID 133410404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).