N-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine

C18H22N4 — CID 3276862

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine
SMILESCCn1cnc2cc(NCc3ccc(N(C)C)cc3)ccc21
InChIInChI=1S/C18H22N4/c1-4-22-13-20-17-11-15(7-10-18(17)22)19-12-14-5-8-16(9-6-14)21(2)3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyGOXXBXMODVWPKM-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.73
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine

N-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine (PubChem CID 3276862) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine
PubChem CID3276862
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine
SMILESCCn1cnc2cc(NCc3ccc(N(C)C)cc3)ccc21
InChIInChI=1S/C18H22N4/c1-4-22-13-20-17-11-15(7-10-18(17)22)19-12-14-5-8-16(9-6-14)21(2)3/h5-11,13,19H,4,12H2,1-3H3
InChIKeyGOXXBXMODVWPKM-UHFFFAOYSA-N
XLogP3.73
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine (CID 3276862) is N-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine is CCn1cnc2cc(NCc3ccc(N(C)C)cc3)ccc21.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine?
The InChIKey is GOXXBXMODVWPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-4-22-13-20-17-11-15(7-10-18(17)22)19-12-14-5-8-16(9-6-14)21(2)3/h5-11,13,19H,4,12H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine?
N-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine has a molecular weight of 294.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-ethylbenzimidazol-5-amine is sourced from PubChem (CID 3276862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).