1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea

C21H33N5O — CID 72793846

IUPAC1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea
SMILESCCCNC(=O)Nc1cc2[nH]c(C3CCCCC3)nc2cc1N(CC)CC
InChIInChI=1S/C21H33N5O/c1-4-12-22-21(27)25-18-13-16-17(14-19(18)26(5-2)6-3)24-20(23-16)15-10-8-7-9-11-15/h13-15H,4-12H2,1-3H3,(H,23,24)(H2,22,25,27)
InChIKeyCTBUVSYRABSUCB-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.99
Rot. Bonds7

About 1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea

1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea (PubChem CID 72793846) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea.

Molecular Properties

Compound Name1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea
PubChem CID72793846
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea
SMILESCCCNC(=O)Nc1cc2[nH]c(C3CCCCC3)nc2cc1N(CC)CC
InChIInChI=1S/C21H33N5O/c1-4-12-22-21(27)25-18-13-16-17(14-19(18)26(5-2)6-3)24-20(23-16)15-10-8-7-9-11-15/h13-15H,4-12H2,1-3H3,(H,23,24)(H2,22,25,27)
InChIKeyCTBUVSYRABSUCB-UHFFFAOYSA-N
XLogP4.99
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea?
The IUPAC name of 1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea (CID 72793846) is 1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea.
What is the SMILES notation for 1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea?
The canonical SMILES for 1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea is CCCNC(=O)Nc1cc2[nH]c(C3CCCCC3)nc2cc1N(CC)CC.
What is the InChIKey of 1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea?
The InChIKey is CTBUVSYRABSUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-4-12-22-21(27)25-18-13-16-17(14-19(18)26(5-2)6-3)24-20(23-16)15-10-8-7-9-11-15/h13-15H,4-12H2,1-3H3,(H,23,24)(H2,22,25,27).
What are the key properties of 1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea?
1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea has a molecular weight of 371.53 g/mol, XLogP of 4.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-6-(diethylamino)-3H-benzimidazol-5-yl]-3-propylurea is sourced from PubChem (CID 72793846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).