N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine

C21H22N4O — CID 45279829

IUPACN-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine
SMILESCc1nc2ccc(-c3ccc4oc(NC5CCCCC5)nc4c3)cc2[nH]1
InChIInChI=1S/C21H22N4O/c1-13-22-17-9-7-14(11-18(17)23-13)15-8-10-20-19(12-15)25-21(26-20)24-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H,22,23)(H,24,25)
InChIKeyRSPUTLMHDDODEC-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.42
Rot. Bonds3

About N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine

N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine (PubChem CID 45279829) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine
PubChem CID45279829
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine
SMILESCc1nc2ccc(-c3ccc4oc(NC5CCCCC5)nc4c3)cc2[nH]1
InChIInChI=1S/C21H22N4O/c1-13-22-17-9-7-14(11-18(17)23-13)15-8-10-20-19(12-15)25-21(26-20)24-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H,22,23)(H,24,25)
InChIKeyRSPUTLMHDDODEC-UHFFFAOYSA-N
XLogP5.42
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-aminophenyl)-N-cyclohexyl-1,3-benzoxazol-2-amine
CID 45279549
5-(2-butan-2-yl-1H-indol-5-yl)-N-cyclohexyl-1,3-benzoxazol-2-amine
CID 91427328
N-cyclohexyl-5-(3,4-diethoxyphenyl)-1,3-benzoxazol-2-amine
CID 68656484
N-cyclohexyl-5-(4-methoxy-2-methylphenyl)-1,3-benzoxazol-2-amine
CID 68657492
N-cyclohexyl-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 58896893
6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-1,4-dihydro-3,1-benzoxazin-2-one
CID 70903063
N-cyclohexyl-5-(3,7-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
CID 139602311
N-cyclobutyl-5-(1-methylindol-5-yl)-1,3-benzoxazol-2-amine
CID 68658294
6-[2-(cyclohexylamino)-1,3-benzoxazol-5-yl]-3-ethyl-1,4-dihydroquinazolin-2-one
CID 70903060
N-cyclohexyl-6-nitro-1,3-benzoxazol-2-amine
CID 12711471
N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine
CID 68658124
N-[[4-[2,3,5,6-tetrafluoro-4-(2-methyl-3H-benzimidazol-5-yl)phenyl]phenyl]methyl]cyclohexanamine
CID 175937999

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine (CID 45279829) is N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine is Cc1nc2ccc(-c3ccc4oc(NC5CCCCC5)nc4c3)cc2[nH]1.
What is the InChIKey of N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine?
The InChIKey is RSPUTLMHDDODEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-22-17-9-7-14(11-18(17)23-13)15-8-10-20-19(12-15)25-21(26-20)24-16-5-3-2-4-6-16/h7-12,16H,2-6H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine?
N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine has a molecular weight of 346.43 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 45279829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).