N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline

C18H21N3 — CID 71494889

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline
SMILESCCCN(Cc1nc2ccccc2[nH]1)c1ccc(C)cc1
InChIInChI=1S/C18H21N3/c1-3-12-21(15-10-8-14(2)9-11-15)13-18-19-16-6-4-5-7-17(16)20-18/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyGDHZWJTTXNOETQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.29
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline

N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline (PubChem CID 71494889) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline
PubChem CID71494889
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline
SMILESCCCN(Cc1nc2ccccc2[nH]1)c1ccc(C)cc1
InChIInChI=1S/C18H21N3/c1-3-12-21(15-10-8-14(2)9-11-15)13-18-19-16-6-4-5-7-17(16)20-18/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyGDHZWJTTXNOETQ-UHFFFAOYSA-N
XLogP4.29
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-dodecyl-4-methylaniline
CID 71492460
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-[(4-nitrophenyl)methyl]aniline
CID 71492459
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
N,N-bis(1H-benzimidazol-2-ylmethyl)-2-propylaniline;chromium
CID 87784847
N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
N-(1H-benzimidazol-2-ylmethyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 162668375
2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
CID 60689151
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
ethane;4-methyl-N,N-dipropylaniline
CID 143993396
2-[(4-methylphenyl)methylsulfanylmethyl]-1H-benzimidazole
CID 954581

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline (CID 71494889) is N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline is CCCN(Cc1nc2ccccc2[nH]1)c1ccc(C)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline?
The InChIKey is GDHZWJTTXNOETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-12-21(15-10-8-14(2)9-11-15)13-18-19-16-6-4-5-7-17(16)20-18/h4-11H,3,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline?
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline has a molecular weight of 279.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline is sourced from PubChem (CID 71494889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).