N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine

C15H18N4 — CID 79036370

IUPACN-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine
SMILESCCn1cccc1CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H18N4/c1-2-19-9-5-6-12(19)10-16-11-15-17-13-7-3-4-8-14(13)18-15/h3-9,16H,2,10-11H2,1H3,(H,17,18)
InChIKeyRGXNGGMNWIEKOL-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.67
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine

N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine (PubChem CID 79036370) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine
PubChem CID79036370
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine
SMILESCCn1cccc1CNCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H18N4/c1-2-19-9-5-6-12(19)10-16-11-15-17-13-7-3-4-8-14(13)18-15/h3-9,16H,2,10-11H2,1H3,(H,17,18)
InChIKeyRGXNGGMNWIEKOL-UHFFFAOYSA-N
XLogP2.67
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-1-(1-methylpyrrol-2-yl)methanamine
CID 78913462
N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylimidazol-4-yl)methanamine
CID 79026925
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
N-(1H-benzimidazol-2-ylmethyl)-1-(2,6-difluorophenyl)methanamine
CID 78911282
N-(1H-benzimidazol-2-ylmethyl)-1-(2-bromophenyl)methanamine
CID 78911270
N-(1H-benzimidazol-2-ylmethyl)-1-(5-bromofuran-2-yl)methanamine
CID 78911310
N-(1H-benzimidazol-2-ylmethyl)-1-(2,5-dimethylthiophen-3-yl)methanamine
CID 78991548
N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylthiophen-2-yl)methanamine
CID 66526943
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine (CID 79036370) is N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine is CCn1cccc1CNCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine?
The InChIKey is RGXNGGMNWIEKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-19-9-5-6-12(19)10-16-11-15-17-13-7-3-4-8-14(13)18-15/h3-9,16H,2,10-11H2,1H3,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine?
N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine has a molecular weight of 254.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-1-(1-ethylpyrrol-2-yl)methanamine is sourced from PubChem (CID 79036370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).