N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine

C20H21FN4 — CID 131941358

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine
SMILESCC(CCc1c[nH]c2ccccc12)NCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C20H21FN4/c1-13(6-7-14-11-23-17-5-3-2-4-16(14)17)22-12-20-24-18-9-8-15(21)10-19(18)25-20/h2-5,8-11,13,22-23H,6-7,12H2,1H3,(H,24,25)
InChIKeyPOKNEXAUWQXNKE-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.29
Rot. Bonds6

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine (PubChem CID 131941358) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine
PubChem CID131941358
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine
SMILESCC(CCc1c[nH]c2ccccc12)NCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C20H21FN4/c1-13(6-7-14-11-23-17-5-3-2-4-16(14)17)22-12-20-24-18-9-8-15(21)10-19(18)25-20/h2-5,8-11,13,22-23H,6-7,12H2,1H3,(H,24,25)
InChIKeyPOKNEXAUWQXNKE-UHFFFAOYSA-N
XLogP4.29
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
CID 60958104
(2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine
CID 164642681
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine
CID 56711923
N-(2-ethyl-3H-benzimidazol-5-yl)-2-(1H-indol-3-yl)acetamide
CID 110793188
6-fluoro-2-(naphthalen-1-ylmethyl)-1H-benzimidazole
CID 60978250
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butanamide
CID 119885395
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine (CID 131941358) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine is CC(CCc1c[nH]c2ccccc12)NCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine?
The InChIKey is POKNEXAUWQXNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-13(6-7-14-11-23-17-5-3-2-4-16(14)17)22-12-20-24-18-9-8-15(21)10-19(18)25-20/h2-5,8-11,13,22-23H,6-7,12H2,1H3,(H,24,25).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine has a molecular weight of 336.41 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine is sourced from PubChem (CID 131941358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).