N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine

C20H25N3 — CID 134084304

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine
SMILESCCCCn1c(CNCCc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H25N3/c1-2-3-15-23-19-12-8-7-11-18(19)22-20(23)16-21-14-13-17-9-5-4-6-10-17/h4-12,21H,2-3,13-16H2,1H3
InChIKeyAHJPXCBVSYEWCG-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.17
Rot. Bonds8

About N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine

N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine (PubChem CID 134084304) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine
PubChem CID134084304
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine
SMILESCCCCn1c(CNCCc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H25N3/c1-2-3-15-23-19-12-8-7-11-18(19)22-20(23)16-21-14-13-17-9-5-4-6-10-17/h4-12,21H,2-3,13-16H2,1H3
InChIKeyAHJPXCBVSYEWCG-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzylbenzimidazol-2-yl)methyl]butan-1-amine
CID 134084343
N-benzyl-4-(2-ethylbenzimidazol-1-yl)butan-1-amine
CID 134815891
2-phenyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]ethanamine
CID 134084319
N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
CID 16970596
2-[(1-propylbenzimidazol-2-yl)methylamino]ethanol
CID 54905664
3-(4-benzylpiperazin-1-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]propan-1-amine
CID 112844244
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
2-benzyl-1-hexadecylbenzimidazole
CID 4627397
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
2-(1,2,4-oxadiazol-3-yl)-N-[(1-propylbenzimidazol-2-yl)methyl]ethanamine
CID 106396239
2-nonyl-1-undecylbenzimidazole
CID 139787757

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine (CID 134084304) is N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine is CCCCn1c(CNCCc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine?
The InChIKey is AHJPXCBVSYEWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-2-3-15-23-19-12-8-7-11-18(19)22-20(23)16-21-14-13-17-9-5-4-6-10-17/h4-12,21H,2-3,13-16H2,1H3.
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine?
N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine has a molecular weight of 307.44 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]-2-phenylethanamine is sourced from PubChem (CID 134084304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).