benzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate

C25H32N4O2 — CID 25101002

IUPACbenzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate
SMILESCCN(CC)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C25H32N4O2/c1-3-29(4-2)23-16-21-20(26-24(27-21)19-13-9-6-10-14-19)15-22(23)28-25(30)31-17-18-11-7-5-8-12-18/h5,7-8,11-12,15-16,19H,3-4,6,9-10,13-14,17H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyNUNSOXAWTMHTPS-UHFFFAOYSA-N
MW420.56 g/mol
LogP6.21
Rot. Bonds7

About benzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate

benzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate (PubChem CID 25101002) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is benzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate
PubChem CID25101002
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Namebenzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate
SMILESCCN(CC)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C25H32N4O2/c1-3-29(4-2)23-16-21-20(26-24(27-21)19-13-9-6-10-14-19)15-22(23)28-25(30)31-17-18-11-7-5-8-12-18/h5,7-8,11-12,15-16,19H,3-4,6,9-10,13-14,17H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyNUNSOXAWTMHTPS-UHFFFAOYSA-N
XLogP6.21
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate?
The IUPAC name of benzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate (CID 25101002) is benzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate.
What is the SMILES notation for benzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate?
The canonical SMILES for benzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate is CCN(CC)c1cc2nc(C3CCCCC3)[nH]c2cc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate?
The InChIKey is NUNSOXAWTMHTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-3-29(4-2)23-16-21-20(26-24(27-21)19-13-9-6-10-14-19)15-22(23)28-25(30)31-17-18-11-7-5-8-12-18/h5,7-8,11-12,15-16,19H,3-4,6,9-10,13-14,17H2,1-2H3,(H,26,27)(H,28,30).
What are the key properties of benzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate?
benzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate has a molecular weight of 420.56 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]carbamate is sourced from PubChem (CID 25101002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).